Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | MME | P08473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1838394 | 0.87 | CYP19A1 (0.51) | CYP19A1HDAC1HSP90AB1ALDH1A1LMNA | |
| SCHEMBL305197 | 0.85 | CYP19A1 (0.49) | CYP19A1HDAC1HSP90AB1ALDH1A1LMNA | |
| SCHEMBL14479459 | 0.81 | CYP19A1 (0.48) | CYP19A1HDAC1HSP90AB1ALDH1A1LMNA | |
| SCHEMBL18183893 | 0.81 | CYP19A1 (0.48) | CYP19A1HDAC1HSP90AB1ALDH1A1LMNA | |
| SCHEMBL19701642 | 0.79 | CYP19A1 (0.43) | CYP19A1HDAC1HSP90AB1ALDH1A1LMNA | |
| SCHEMBL3097402 | 0.76 | CYP19A1 (0.57) | CYP19A1HDAC1HSP90AB1ALDH1A1LMNA | |
| SCHEMBL29255128 | 0.76 | ALDH1A1 (0.50) | CYP19A1HDAC1ALDH1A1LMNAMME | |
| SCHEMBL24666587 | 0.75 | CYP19A1 (0.57) | CYP19A1HDAC1HSP90AB1ALDH1A1LMNA | |
| SCHEMBL3331695 | 0.75 | ACE (0.56) | MME | |
| SCHEMBL304588 | 0.75 | ACE (0.56) | MME |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2513091-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-10-24 | — | — | EP | disclosed |
| EP-2499115-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-09-19 | — | — | EP | disclosed |
| EP-2499127-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-09-19 | — | — | EP | disclosed |
| WO-2011075439-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-06-23 | — | — | WO | disclosed |
| WO-2011059850-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |
| WO-2011059887-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |