Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 20/20 | 1.00 |
| ▸ | AVPR2 | P30518 | 2/20 | 0.66 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL7441283 | 0.90 | OXTR (0.84) | OXTRAVPR2AVPR1AALDH1A1 | |
| Hydrochloric Acid SCHEMBL7475350 | 0.89 | OXTR (0.83) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL7357703 | 0.87 | OXTR (0.82) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL7452945 | 0.85 | OXTR (0.79) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL7445878 | 0.83 | OXTR (0.76) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL7439675 | 0.83 | OXTR (0.76) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL7394297 | 0.82 | OXTR (0.79) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL7481810 | 0.82 | OXTR (0.74) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL8093072 | 0.81 | OXTR (0.78) | OXTRAVPR2AVPR1AALDH1A1 | |
| SCHEMBL8092959 | 0.81 | OXTR (1.00) | 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 2 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 |