Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 8/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.45 |
| ▸ | UGCG | Q16739 | 6/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.41 |
| ▸ | OXTR | P30559 | 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 | |
|---|---|---|---|---|
| SCHEMBL21326358 | 0.79 | CYP3A4 (0.57) | AVPR1ACYP3A4UGCGKCNH2OXTR | |
| SCHEMBL21326301 | 0.79 | CYP3A4 (0.57) | AVPR1ACYP3A4UGCG | |
| SCHEMBL21326305 | 0.79 | CYP3A4 (0.57) | AVPR1ACYP3A4UGCG | |
| SCHEMBL21326359 | 0.79 | CYP3A4 (0.57) | AVPR1ACYP3A4UGCGKCNH2OXTR | |
| SCHEMBL21326340 | 0.76 | CYP3A4 (0.54) | AVPR1ACYP3A4UGCGOXTR | |
| SCHEMBL21326343 | 0.76 | CYP3A4 (0.54) | AVPR1ACYP3A4UGCGOXTR | |
| SCHEMBL13655788 | 0.74 | SMYD3 (0.44) | ITGB3ITGA2BCYP51A1 | |
| SCHEMBL21326270 | 0.74 | CYP3A4 (0.65) | AVPR1ACYP3A4UGCGKCNH2OXTR | |
| SCHEMBL21326274 | 0.74 | CYP3A4 (0.65) | AVPR1ACYP3A4UGCGKCNH2OXTR | |
| SCHEMBL21326369 | 0.74 | CYP3A4 (0.65) | AVPR1ACYP3A4UGCGKCNH2OXTR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010091164-A1 | INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE | EXELIXIS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |