Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 1/20 | 0.57 |
| ▸ | CDK1 | P06493 | 1/20 | 0.57 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.57 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.57 |
| ▸ | ESR1 | P03372 | 3/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.52 |
| ▸ | CNR1 | P21554 | 7/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GPR3 | P46089 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12244367 | 0.85 | CCNB2 (0.75) | CCNB2CDK1CCNB1CCNB3ESR1 | |
| SCHEMBL11797871 | 0.82 | CCNB2 (0.57) | CCNB2CDK1CCNB1CCNB3ESR1 | |
| SCHEMBL10933044 | 0.82 | CCNB2 (0.61) | CCNB2CDK1CCNB1CCNB3ESR1 | |
| SCHEMBL11656880 | 0.81 | CCNB2 (0.55) | CCNB2CDK1CCNB1CCNB3ESR1 | |
| SCHEMBL28914920 | 0.79 | ESR1 (0.49) | CCNB2CDK1CCNB1CCNB3ESR1 | |
| SCHEMBL21228922 | 0.78 | CCNB2 (0.53) | CCNB2CDK1CCNB1CCNB3ESR1 | |
| SCHEMBL11619004 | 0.78 | CCNB2 (0.53) | CCNB2CDK1CCNB1CCNB3ESR1 | |
| SCHEMBL11691667 | 0.78 | VDR (0.58) | NPSR1ALDH1A1GPR3HSD17B10 | |
| SCHEMBL16454909 | 0.76 | CNR1 (0.57) | CCNB2CDK1CCNB1CCNB3ESR1 | |
| Carbazole SCHEMBL29148121 | 0.76 | ALDH1A1 (0.70) | ALDH1A1GPR3HSD17B10 |
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-6486153-B1 | Phenylindole derivatives as 5-HT2A receptor ligands | MERCK SHARP & DOHME LTD. | 2002-11-26 | — | — | US | disclosed |
| WO-1999011619-A1 | PHENYLINDOLE DERIVATIVES AS 5-HT2A RECEPTOR LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1999-03-11 | — | — | WO | disclosed |