Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 4/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.60 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.60 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.35 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.35 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL3171992 | 1.00 | TSHR (0.60) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Maleic Acid SCHEMBL6889391 | 1.00 | TSHR (0.60) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Trifluoroacetic Acid SCHEMBL2715318 | 0.86 | — | — | |
| Trifluoroacetic Acid SCHEMBL7814389 | 0.82 | ALDH1A1 (0.44) | TSHRTP53ALDH1A1L3MBTL1KMT2A | |
| Trifluoroacetic Acid SCHEMBL2484766 | 0.82 | ALDH1A1 (0.44) | TSHRTP53ALDH1A1L3MBTL1KMT2A | |
| Trifluoroacetic Acid SCHEMBL30657022 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL4598430 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL474 | 0.82 | — | — | |
| SCHEMBL30333488 | 0.81 | TSHR (0.53) | TSHRTP53EGLN1EGLN3HCAR2 | |
| SCHEMBL22382306 | 0.81 | TSHR (0.53) | TSHRTP53EGLN1EGLN3HCAR2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200297700-A1 | BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF | TOBIRA THERAPEUTICS INC (US) | 2020-09-24 | — | — | US | disclosed |
| US-20190038604-A1 | BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF | TOBIRA THERAPEUTICS, INC. (US) | 2019-02-07 | — | — | US | disclosed |
| US-20160008326-A1 | BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-01-14 | — | — | US | disclosed |
| US-8741943-B2 | Bicyclic compound, production and use thereof | TOBIRA THERAPEUTICS, INC. (US) | 2014-06-03 | — | — | US | disclosed |
| EP-1889839-B1 | Bicyclic compound, production and use as HIV inhibitors | TOBIRA THERAPEUTICS INC (US) | 2013-11-06 | — | — | EP | disclosed |
| US-8362058-B2 | Bicyclic compound, production and use thereof | TOBIRA THERAPEUTICS, INC. (US) | 2013-01-29 | — | — | US | disclosed |
| US-20120232028-A1 | Bicyclic Compound, Production and Use Thereof | TOBIRA THERAPEUTICS, INC. (US) | 2012-09-13 | — | — | US | disclosed |
| US-8183273-B2 | 8-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide; HIV infectious diseases, chronic rheumatoid arthritis, autoimmune disease, allergic diseases, ischemic brain cell disease | TOBIRA THERAPEUTICS, INC. (US) | 2012-05-22 | — | — | US | disclosed |
| EP-2206702-B1 | Bicyclic compound, production and use thereof | TOBIRA THERAPEUTICS INC (US) | 2011-12-28 | — | — | EP | disclosed |
| EP-2206702-A1 | Bicyclic compound, production and use thereof | Tobira Therapeutics, Inc. (US) | 2010-07-14 | — | — | EP | disclosed |
| EP-1423376-B1 | BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF | TOBIRA THERAPEUTICS INC (US) | 2010-03-10 | — | — | EP | disclosed |
| US-20090030032-A1 | Bicyclic Compound, Production and Use Thereof | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 2009-01-29 | — | — | US | disclosed |
| US-20080161287-A1 | Bicyclic compound, production and use thereof | TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) | 2008-07-03 | — | — | US | disclosed |
| US-7371772-B2 | Bicyclic compound, production and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-13 | — | — | US | disclosed |
| EP-1889839-A1 | Bicyclic compound, production and use as HIV inhibitors | Takeda Pharmaceutical Company Limited (JP) | 2008-02-20 | — | — | EP | disclosed |
| US-20040259876-A1 | Bicyclic compound, production and use thereof | TOBIRA THERAPEUTICS, INC. | 2004-12-23 | — | — | US | disclosed |
| EP-1423376-A1 | BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2004-06-02 | — | — | EP | disclosed |
| WO-2003014105-A1 | BICYCLIC COMPOUND, PRODUCTION AND USE AS HIV INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-02-20 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040259876-A1 | Bicyclic compound, production and use thereof | CCR5, CCR1, CCR2 | KMT2A 2416/4885MEN1 3989/4885TSHR 3110/4885 |
| US-20090030032-A1 | Bicyclic Compound, Production and Use Thereof | CCR5, CCR1, CCR2 | KMT2A 2249/4885MEN1 3639/4885TSHR 2421/4885 |
| US-20120232028-A1 | Bicyclic Compound, Production and Use Thereof | CCR5, CCR1, CCR2 | KMT2A 2249/4885MEN1 3639/4885TSHR 2421/4885 |
| US-20160008326-A1 | BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF | CCR5, CCR1, CCR2 | KMT2A 2208/4885MEN1 3684/4885TSHR 2428/4885 |
| US-20190038604-A1 | BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF | CCR5, CCR1, CCR2 | KMT2A 2249/4885MEN1 3639/4885TSHR 2421/4885 |
| US-20200297700-A1 | BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF | CCR5, CCR1, CCR2 | KMT2A 2249/4885MEN1 3639/4885TSHR 2421/4885 |
| US-20080161287-A1 | Bicyclic compound, production and use thereof | CCR5, CCR1, CCR2 | KMT2A 2249/4885MEN1 3639/4885TSHR 2421/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.