Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | F7 | P08709 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.32 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.32 |
| ▸ | F2RL1 | P55085 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8309503 | 0.82 | POLB (0.45) | ALDH1A1GAAADRA2AADRA2BADRA2C | |
| SCHEMBL11189892 | 0.74 | ADRA2A (0.40) | ALDH1A1GAAADRA2AADRA2BADRA2C | |
| SCHEMBL8145073 | 0.71 | ALDH1A1 (0.48) | ALDH1A1GAACASP1RECQLKDM4E | |
| Hydrochloric Acid SCHEMBL9756776 | 0.70 | ALDH1A1 (0.46) | ALDH1A1GAANISCHCASP1RECQL | |
| SCHEMBL15651168 | 0.69 | NISCH (0.46) | ALDH1A1GAAADRA2ANISCHCASP1 | |
| SCHEMBL3633273 | 0.69 | SMPD3 (0.50) | ALDH1A1GAANISCHKDM4EMAPT | |
| SCHEMBL11691601 | 0.69 | CASP1 (0.45) | ALDH1A1GAACASP1RECQLKDM4E | |
| SCHEMBL10370479 | 0.68 | KDM4E (0.50) | ADRA2AADRA2BADRA2CNISCHKDM4E | |
| SCHEMBL2968176 | 0.68 | MAOB (0.39) | ADRA2AADRA2BADRA2CCYP3A4 | |
| SCHEMBL11689564 | 0.67 | TDP1 (0.56) | ALDH1A1GAACASP1RECQLKDM4E |
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-0790986-B1 | ANILINE DERIVATIVES | ZENECA LTD (GB) | 1999-01-20 | — | — | EP | disclosed |
| US-5821246-A | USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER | ZENECA LIMITED (GB) | 1998-10-13 | — | — | US | disclosed |
| EP-0790986-A1 | ANILINE DERIVATIVES | ZENECA LIMITED (GB) | 1997-08-27 | — | — | EP | disclosed |
| WO-1996015118-A1 | ANILINE DERIVATIVES | ZENECA LIMITED (GB) | 1996-05-23 | — | — | WO | disclosed |