Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 5/20 | 0.83 |
| ▸ | AVPR1A | P37288 | 3/20 | 0.83 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP7 | P09237 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL4945458 | 1.00 | OXTR (0.83) | OXTRAVPR1AROCK2ROCK1ADRB1 | |
| SCHEMBL7219611 | 0.91 | OXTR (0.79) | OXTRAVPR1AROCK2ROCK1ADRB1 | |
| SCHEMBL4936354 | 0.91 | OXTR (1.00) | OXTRAVPR1AROCK2ROCK1MMP1 | |
| SCHEMBL4936174 | 0.91 | OXTR (1.00) | OXTRAVPR1AROCK2ROCK1MMP1 | |
| SCHEMBL4942975 | 0.91 | OXTR (1.00) | OXTRAVPR1AROCK2ROCK1MMP1 | |
| SCHEMBL5743780 | 0.91 | OXTR (1.00) | OXTRAVPR1AROCK2ROCK1MMP1 | |
| SCHEMBL4943198 | 0.91 | OXTR (1.00) | OXTRAVPR1AROCK2ROCK1MMP1 | |
| SCHEMBL5743785 | 0.91 | OXTR (1.00) | OXTRAVPR1AROCK2ROCK1MMP1 | |
| SCHEMBL4940385 | 0.91 | OXTR (1.00) | OXTRAVPR1AROCK2ROCK1MMP1 | |
| SCHEMBL4936543 | 0.91 | 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-1268418-A1 | PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS | Applied Research Systems ARS Holding N.V. (AN) | 2003-01-02 | — | — | EP | claimed |
| WO-2001074769-A1 | PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2001-10-11 | — | — | WO | claimed |