Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.44 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | LTA4H | P09960 | 3/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7543270 | 0.97 | ALDH1A1 (0.45) | ALDH1A1ALDH3A1ALDH1A3CYP1A2CYP2C19 | |
| SCHEMBL3458964 | 0.90 | ALDH3A1 (0.42) | ALDH1A1ALDH3A1ALDH1A3CYP1A2CYP2C19 | |
| SCHEMBL3458716 | 0.86 | ALDH1A1 (0.45) | ALDH1A1ALDH3A1ALDH1A3PTGDR2MAPT | |
| SCHEMBL7541385 | 0.85 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C19LTA4HPTGDR2 | |
| SCHEMBL7487895 | 0.83 | ALDH3A1 (0.41) | ALDH1A1ALDH3A1ALDH1A3CYP1A2CYP2C19 | |
| SCHEMBL5204160 | 0.83 | ALDH1A1 (0.42) | ALDH1A1ALDH1A3CYP1A2CYP2C19PTGDR2 | |
| SCHEMBL6350449 | 0.82 | ALDH3A1 (0.46) | ALDH1A1ALDH3A1ALDH1A3PTGDR2MAPT | |
| SCHEMBL7541512 | 0.78 | PTGDR2 (0.42) | ALDH1A1ALDH3A1ALDH1A3PTGDR2MAPT | |
| SCHEMBL3172718 | 0.77 | PTGDR2 (0.35) | CYP1A2LTA4HPTGDR2MAPTKMT2A | |
| SCHEMBL3459019 | 0.76 | PTGDR2 (0.56) | ALDH1A1CYP1A2CYP2C19LTA4HPTGDR2 |
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 17 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-A1 | Bicyclic compound, production and use thereof | Tobira Therapeutics, Inc. (US) | 2010-07-14 | — | — | 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-A9 | BICYCLIC COMPOUND, PRODUCTION AND USE AS HIV INHIBITORS | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-11-20 | — | — | WO | 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 | ALDH1A1 2570/4885ALDH3A1 1148/4885ALDH1A3 4527/4885 |
| US-20090030032-A1 | Bicyclic Compound, Production and Use Thereof | CCR5, CCR1, CCR2 | ALDH1A1 2749/4885ALDH3A1 1253/4885ALDH1A3 4448/4885 |
| US-20120232028-A1 | Bicyclic Compound, Production and Use Thereof | CCR5, CCR1, CCR2 | ALDH1A1 2749/4885ALDH3A1 1253/4885ALDH1A3 4448/4885 |
| US-20160008326-A1 | BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF | CCR5, CCR1, CCR2 | ALDH1A1 2749/4885ALDH3A1 1250/4885ALDH1A3 4453/4885 |
| US-20190038604-A1 | BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF | CCR5, CCR1, CCR2 | ALDH1A1 2749/4885ALDH3A1 1253/4885ALDH1A3 4448/4885 |
| US-20200297700-A1 | BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF | CCR5, CCR1, CCR2 | ALDH1A1 2749/4885ALDH3A1 1253/4885ALDH1A3 4448/4885 |
| US-20080161287-A1 | Bicyclic compound, production and use thereof | CCR5, CCR1, CCR2 | ALDH1A1 2749/4885ALDH3A1 1253/4885ALDH1A3 4448/4885 |
“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.