Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 17/20 | 0.62 |
| ▸ | AVPR2 | P30518 | 3/20 | 0.62 |
| ▸ | AVPR1A | P37288 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL7485420 | 0.90 | OXTR (0.77) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL7398113 | 0.87 | OXTR (0.77) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL7357751 | 0.87 | OXTR (0.77) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL7486819 | 0.87 | OXTR (0.63) | OXTRAVPR2AVPR1AALDH1A1 | |
| Hydrochloric Acid SCHEMBL7440789 | 0.86 | OXTR (0.76) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL7482715 | 0.86 | OXTR (0.65) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL7288276 | 0.86 | OXTR (0.73) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL7479364 | 0.84 | OXTR (0.64) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL7478097 | 0.83 | OXTR (0.59) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL7287761 | 0.83 | OXTR (0.64) | OXTRAVPR2AVPR1AALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0714299-B1 | BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2002-04-24 | — | — | EP | disclosed |
| US-5665719-A | Benzoxazinone and benzopyrimidinone piperidinyl tocolytic oxytocin receptor antagonists | MERCK & CO., INC. (US) | 1997-09-09 | — | — | US | disclosed |
| 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 |