Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 11/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.51 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | CCR3 | P51677 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7494734 | 0.87 | OXTR (0.49) | OXTRALDH1A1AVPR2AVPR1AHSD11B1 | |
| SCHEMBL7398524 | 0.86 | OXTR (0.60) | OXTRALDH1A1AVPR2AVPR1AHSD11B1 | |
| SCHEMBL7405740 | 0.81 | OXTR (0.45) | OXTRALDH1A1AVPR2AVPR1AHSD11B1 | |
| SCHEMBL7508507 | 0.81 | PDE4B (0.51) | OXTRALDH1A1AVPR2AVPR1AHSD11B1 | |
| SCHEMBL3882603 | 0.81 | TSHR (0.60) | OXTRALDH1A1HSD11B1TSHRHTT | |
| SCHEMBL7399887 | 0.79 | OXTR (0.43) | OXTRALDH1A1AVPR2AVPR1AHSD11B1 | |
| SCHEMBL8669740 | 0.78 | OXTR (0.55) | OXTRALDH1A1AVPR2AVPR1AHSD11B1 | |
| SCHEMBL7400100 | 0.78 | OXTR (0.51) | OXTRAVPR2AVPR1A | |
| SCHEMBL7506857 | 0.77 | MAPT (0.51) | OXTRALDH1A1AVPR2AVPR1AHRH3 | |
| SCHEMBL7453007 | 0.77 | OXTR (0.86) | OXTRALDH1A1AVPR2AVPR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0714299-A4 | — | — | 1996-07-10 | — | — | EP | disclosed |
| EP-0714299-A1 | BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1996-06-05 | — | — | EP | disclosed |
| WO-1995002405-A1 | BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1995-01-26 | — | — | WO | disclosed |