Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.53 |
| ▸ | DRD2 | P14416 | 4/20 | 0.53 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.52 |
| ▸ | MCHR2 | Q969V1 | 1/20 | 0.50 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL13005433 | 1.00 | HTR1A (0.53) | HTR1AROCK2ROCK1DRD2ABCG2 | |
| SCHEMBL13060677 | 0.90 | DRD2 (0.60) | HTR1AROCK2ROCK1DRD2ABCG2 | |
| SCHEMBL13060652 | 0.90 | DRD2 (0.60) | HTR1AROCK2ROCK1DRD2ABCG2 | |
| SCHEMBL19954197 | 0.83 | ROCK2 (0.59) | HTR1AROCK2ROCK1DRD2ABCG2 | |
| SCHEMBL13006797 | 0.82 | ABCG2 (0.57) | ROCK2ROCK1DRD2ABCG2KMT2A | |
| SCHEMBL13005425 | 0.82 | ABCG2 (0.57) | ROCK2ROCK1DRD2ABCG2KMT2A | |
| SCHEMBL13005479 | 0.81 | ABCG2 (0.49) | ROCK2ROCK1DRD2ABCG2MCHR2 | |
| SCHEMBL17790224 | 0.81 | ROCK2 (0.61) | HTR1AROCK2ROCK1DRD2ABCG2 | |
| SCHEMBL18901194 | 0.80 | ROCK2 (0.60) | HTR1AROCK2ROCK1DRD2ABCG2 | |
| SCHEMBL13005478 | 0.79 | ABCG2 (0.47) | ROCK2ROCK1DRD2ABCG2KMT2A |
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-7851637-B2 | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY PHARMACEUTICALS, INC. (US) | 2010-12-14 | — | — | US | disclosed |
| US-7851637-B2 | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY PHARMACEUTICALS, INC. (US) | 2010-12-14 | — | — | US | disclosed |