Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | PIN4 | Q9Y237 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TPH1 | P17752 | 1/20 | 0.34 |
| ▸ | TPH2 | Q8IWU9 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7208726 | 0.90 | GRM6 (0.46) | ALDH1A1KDM4EKMT2AHSD17B10GSK3B | |
| SCHEMBL7841181 | 0.89 | ALDH1A1 (0.36) | ALDH1A1KDM4EKMT2AHSD17B10CYP1A2 | |
| SCHEMBL7206700 | 0.88 | RAB9A (0.45) | ALDH1A1KDM4EKMT2AGSK3BMAPT | |
| SCHEMBL7855284 | 0.87 | CYP2C9 (0.36) | ALDH1A1KDM4EKMT2AHSD17B10CYP1A2 | |
| SCHEMBL7593499 | 0.78 | ALDH1A1 (0.42) | ALDH1A1KDM4EKMT2AHSD17B10CYP1A2 | |
| SCHEMBL19939894 | 0.77 | ALDH1A1 (0.41) | ALDH1A1KDM4EKMT2AHSD17B10CYP1A2 | |
| SCHEMBL7853865 | 0.74 | PPARG (0.41) | ALDH1A1KDM4EKMT2AHSD17B10MAPT | |
| SCHEMBL5131718 | 0.73 | ADORA2B (0.45) | ALDH1A1KDM4EKMT2AHSD17B10CYP1A2 | |
| SCHEMBL7208732 | 0.73 | KMT2A (0.49) | ALDH1A1KDM4EKMT2AGSK3BTPH1 | |
| SCHEMBL7206702 | 0.73 | MEN1 (0.46) | ALDH1A1KDM4EKMT2AGSK3BMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0846119-B1 | THIENOPYRIMIDINE DERIVATIVES, THEIR PRODUCTION AND USE AS ENDOTHELIN ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2002-11-13 | — | — | EP | disclosed |
| EP-0640606-B1 | Thienopyrimidine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-11-07 | — | — | EP | disclosed |
| US-6140325-A | HAS ENDOTHELIN ANTAGONISTIC ACTION; FOR TREATING LIVER HYPOFUNCTION, ACUTE RENAL INSUFFICIENCY, CARDIAC INFARCTION OR LIVER INSUFFICIENCY, VASOCONSTRICTION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-10-31 | — | — | US | disclosed |
| EP-0640606-A1 | Thienopyrimidine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-03-01 | — | — | EP | disclosed |