Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 5/20 | 0.75 |
| ▸ | AVPR1A | P37288 | 3/20 | 0.71 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.34 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.34 |
| ▸ | SCD | O00767 | 3/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP7 | P09237 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4943344 | 0.92 | OXTR (0.80) | OXTRAVPR1AFFAR2ROCK2ROCK1 | |
| SCHEMBL7078906 | 0.92 | OXTR (0.80) | OXTRAVPR1AFFAR2ROCK2ROCK1 | |
| SCHEMBL7083271 | 0.89 | OXTR (0.83) | OXTRAVPR1AROCK2ROCK1MMP1 | |
| SCHEMBL4945458 | 0.89 | OXTR (0.83) | OXTRAVPR1AROCK2ROCK1MMP1 | |
| SCHEMBL7219611 | 0.88 | OXTR (0.79) | OXTRAVPR1AFFAR2ROCK2ROCK1 | |
| SCHEMBL4945256 | 0.86 | OXTR (1.00) | OXTRAVPR1AROCK2ROCK1MMP1 | |
| SCHEMBL4945247 | 0.86 | OXTR (1.00) | OXTRAVPR1AROCK2ROCK1MMP1 | |
| SCHEMBL4936262 | 0.86 | OXTR (1.00) | OXTRAVPR1AROCK2ROCK1MMP1 | |
| SCHEMBL4936835 | 0.86 | OXTR (1.00) | OXTRAVPR1AROCK2ROCK1MMP1 | |
| SCHEMBL4944776 | 0.86 | OXTR (1.00) | OXTRAVPR1AROCK2ROCK1MMP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1268419-A1 | PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS | Applied Research Systems ARS Holding N.V. (AN) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001072705-A1 | PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2001-10-04 | — | — | WO | disclosed |