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 | |
|---|---|---|---|---|
| ▸ | S1PR1 known ✓ | P21453 | 2/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | PPARG | P37231 | 5/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.36 |
| ▸ | PPARA | Q07869 | 3/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 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 SCHEMBL386078 | 1.00 | S1PR4 (0.41) | S1PR4S1PR1S1PR3S1PR5NPC1 | |
| SCHEMBL383597 | 0.95 | S1PR1 (0.45) | S1PR4S1PR1S1PR3S1PR5NPC1 | |
| SCHEMBL386077 | 0.85 | S1PR4 (0.41) | S1PR4S1PR1S1PR3S1PR5NPC1 | |
| SCHEMBL386253 | 0.81 | FAAH (0.43) | — | |
| Oxalic Acid SCHEMBL386502 | 0.79 | FAAH (0.42) | — | |
| SCHEMBL5165561 | 0.75 | S1PR4 (0.41) | S1PR4S1PR1S1PR3S1PR5HDAC4 | |
| SCHEMBL6036008 | 0.73 | S1PR1 (0.56) | S1PR4S1PR1S1PR3S1PR5PPARG | |
| SCHEMBL1912503 | 0.73 | S1PR1 (0.56) | S1PR4S1PR1S1PR3S1PR5PPARG | |
| SCHEMBL385861 | 0.73 | NPC1 (0.41) | NPC1RAB9APPARGPPARATAAR1 | |
| SCHEMBL27710999 | 0.73 | FAAH (0.43) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8101650-B2 | Method for treating a immunology-related disease | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-01-24 | — | — | US | disclosed |
| US-8067396-B2 | Amino alcohol compounds or phosphonic acid derivatives thereof | SANKYO COMPANY, LIMITED (JP) | 2011-11-29 | — | — | US | disclosed |
| US-20100035842-A1 | Amino alcohol compounds or phosphonic acid derivatives thereof | SANKYO COMPANY, LIMITED (JP) | 2010-02-11 | — | — | US | disclosed |
| US-20090326038-A1 | Method for treating a immunology-related disease | SANKYO COMPANY, LIMITED (JP) | 2009-12-31 | — | — | US | disclosed |
| US-7638551-B2 | Amino alcohol compounds or phosphonic acid derivatives thereof | SANKYO COMPANY, LIMITED (JP) | 2009-12-29 | — | — | US | disclosed |
| EP-1471054-B1 | AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE | DAIICHI SANKYO CO LTD (JP) | 2009-07-01 | — | — | EP | disclosed |
| US-20070142335-A1 | Amino alcohol compounds or phosphonic acid derivatives thereof | SANKYO COMPANY, LIMITED (JP) | 2007-06-21 | — | — | US | disclosed |
| US-20070105933-A1 | Amino alcohol compounds | SANKYO COMPANY, LIMITED (JP) | 2007-05-10 | — | — | US | disclosed |
| US-7199150-B2 | Amino alcohol compounds | SANKYO COMPANY, LIMITED (JP) | 2007-04-03 | — | — | US | disclosed |
| US-20050043386-A1 | Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these | SANKYO COMPANY, LIMITED (JP) | 2005-02-24 | — | — | US | disclosed |
| EP-1471054-A1 | AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE | Sankyo Company, Limited (JP) | 2004-10-27 | — | — | EP | 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 (5 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-20050043386-A1 | Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these | PHOSPHO1, CD4, FCGRT | S1PR1 257/4885S1PR4 1110/4885S1PR3 414/4885 |
| US-20090326038-A1 | Method for treating a immunology-related disease | C3AR1, HRH3, HRH2 | S1PR1 159/4885S1PR4 519/4885S1PR3 194/4885 |
| US-20070105933-A1 | Amino alcohol compounds | ADH1C, C9, SSB | S1PR1 465/4885S1PR4 1344/4885S1PR3 504/4885 |
| US-20070142335-A1 | Amino alcohol compounds or phosphonic acid derivatives thereof | HRH3, C3AR1, HRH4 | S1PR1 70/4885S1PR4 281/4885S1PR3 89/4885 |
| US-20100035842-A1 | Amino alcohol compounds or phosphonic acid derivatives thereof | PHOSPHO1, ADH1C, ADH1A | S1PR1 593/4885S1PR4 1542/4885S1PR3 622/4885 |
“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.