Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 20/20 | 0.76 |
| ▸ | AVPR2 | P30518 | 6/20 | 0.65 |
| ▸ | AVPR1A | P37288 | 6/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7439675 | 0.93 | OXTR (0.76) | OXTRAVPR2AVPR1AALDH1A1AVPR1B | |
| SCHEMBL7441283 | 0.84 | OXTR (0.84) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL7481810 | 0.84 | OXTR (0.74) | OXTRAVPR2AVPR1AALDH1A1 | |
| Hydrochloric Acid SCHEMBL7475350 | 0.84 | OXTR (0.83) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL7357703 | 0.83 | OXTR (0.82) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL7478093 | 0.83 | OXTR (1.00) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL8095123 | 0.82 | OXTR (0.85) | OXTRAVPR2AVPR1AALDH1A1AVPR1B | |
| SCHEMBL7452945 | 0.82 | OXTR (0.79) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL8081394 | 0.79 | OXTR (1.00) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL7482683 | 0.79 | OXTR (0.72) | 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 |