Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.36 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.33 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7489493 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TRPA1TSHRCNR2LTB4R | |
| SCHEMBL28334610 | 0.83 | ALDH1A1 (0.42) | ALDH1A1TRPA1TSHRCYP4F2CYP4A11 | |
| SCHEMBL14399887 | 0.82 | BCHE (0.46) | ALDH1A1TSHRKDM4E | |
| SCHEMBL9454709 | 0.82 | ALDH1A1 (0.52) | ALDH1A1TRPA1TSHRNFE2L2KDM4E | |
| SCHEMBL8622972 | 0.82 | ALDH1A1 (0.52) | ALDH1A1TRPA1TSHRNFE2L2KDM4E | |
| SCHEMBL8622975 | 0.82 | ALDH1A1 (0.52) | ALDH1A1TRPA1TSHRNFE2L2KDM4E | |
| SCHEMBL12126803 | 0.81 | ALDH1A1 (0.47) | ALDH1A1TSHRCNR2LTB4RLTB4R2 | |
| SCHEMBL25383248 | 0.80 | MAOA (0.48) | ALDH1A1LTB4RLTB4R2CYP4F2CYP4A11 | |
| SCHEMBL13859025 | 0.80 | TSHR (0.39) | ALDH1A1TSHRCNR2LTB4RLTB4R2 | |
| SCHEMBL18197883 | 0.80 | ALDH1A1 (0.39) | ALDH1A1TRPA1TSHRLTB4RLTB4R2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0996617-B1 | 2,4-Dithi(oxo)-pyridin-5-yl compounds bearing a tricyclic substituent useful as P2 purinoceptor antagonists | ASTRAZENECA AB (SE) | 2002-01-09 | — | — | EP | disclosed |
| EP-0984963-B1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2001-04-11 | — | — | EP | disclosed |
| US-6162808-A | Compounds | ASTRAZENECA U.K. LIMITED (GB) | 2000-12-19 | — | — | US | disclosed |
| US-6107297-A | 2,4-Dithi(oxo)-pyrimidin-5-yl compounds bearing a tricyclic substituent useful as P2 purinoceptor antagonists | ASTRA PHARMACEUTICALS LIMITED (GB) | 2000-08-22 | — | — | US | disclosed |
| EP-0996617-A1 | NOVEL COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 2000-05-03 | — | — | EP | disclosed |
| EP-0984963-A1 | NOVEL COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 2000-03-15 | — | — | EP | disclosed |
| WO-1999002501-A1 | NOVEL COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1999-01-21 | — | — | WO | disclosed |
| WO-1998054180-A1 | NOVEL COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1998-12-03 | — | — | WO | disclosed |