Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.55 |
| ▸ | CACNA1C | Q13936 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.55 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.55 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.55 |
| ▸ | SCN1A | P35498 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL7546800 | 0.91 | CACNA1C (0.50) | ADORA3CYP1A2MAPTCYP3A4CYP2C9 | |
| SCHEMBL9253262 | 0.91 | CACNA1C (0.50) | ADORA3CYP1A2MAPTCYP3A4CYP2C9 | |
| SCHEMBL9248478 | 0.84 | ADORA3 (0.61) | ADORA3CYP1A2MAPTCYP3A4CYP2C9 | |
| SCHEMBL7445246 | 0.83 | ADORA3 (0.60) | ADORA3CYP1A2MAPTCYP3A4CYP2C9 | |
| SCHEMBL7365819 | 0.82 | CYP1A2 (0.58) | ADORA3CYP1A2MAPTCYP3A4CYP2C9 | |
| SCHEMBL7396706 | 0.82 | CYP1A2 (0.58) | ADORA3CYP1A2MAPTCYP3A4CYP2C9 | |
| SCHEMBL7393785 | 0.82 | CYP1A2 (0.58) | ADORA3CYP1A2MAPTCYP3A4CYP2C9 | |
| SCHEMBL7362355 | 0.81 | CACNA1C (0.57) | ADORA3CYP1A2MAPTCYP3A4CYP2C9 | |
| SCHEMBL7396862 | 0.80 | HIF1A (0.54) | CYP1A2MAPTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7443841 | 0.79 | CYP2C9 (0.54) | ADORA3CYP1A2MAPTCYP3A4CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5378718-A | Cardiovascular activity, hypotensive | CEDONA PHARMACEUTICALS B.V. (NL) | 1995-01-03 | — | — | US | disclosed |