Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.41 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | TACR2 | P21452 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7300453 | 0.87 | ADORA3 (0.43) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7310633 | 0.87 | ADORA3 (0.43) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7302775 | 0.86 | ADORA3 (0.45) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7311061 | 0.86 | ADORA3 (0.45) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL8878350 | 0.83 | ADORA3 (0.50) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7302736 | 0.82 | ADORA3 (0.73) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL7312841 | 0.81 | ADORA3 (0.53) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL9581380 | 0.71 | KLK5 (0.59) | ADORA3ADORA2AADORA2BADORA1KLK5 | |
| SCHEMBL9167933 | 0.70 | ADORA3 (0.44) | ADORA3ADORA2AADORA2BADORA1CYP3A4 | |
| SCHEMBL9167020 | 0.70 | ADORA3 (0.44) | ADORA3ADORA2AADORA2BADORA1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5605926-A | PROPHYLAXIS | BAYER AKTIENGESELLSCHAFT (DE) | 1997-02-25 | — | — | US | disclosed |
| EP-0528242-A2 | Trifluoromethyl containing pseudopeptides | BAYER AG (DE) | 1993-02-24 | — | — | EP | disclosed |