Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 3/20 | 0.59 |
| ▸ | OXTR | P30559 | 8/20 | 0.53 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.52 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.51 |
| ▸ | HPGDS | O60760 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL14986301 | 0.81 | OXTR (0.72) | OXTRAVPR1A | |
| SCHEMBL400825 | 0.81 | HTR6 (0.54) | HTR6OXTRNOTUM | |
| SCHEMBL4009623 | 0.81 | HTR6 (0.63) | HTR6OXTRAVPR1A | |
| SCHEMBL3144251 | 0.80 | HTR6 (0.65) | HTR6OXTR | |
| Hydrochloric Acid SCHEMBL2267895 | 0.80 | HTR6 (0.53) | HTR6OXTRNOTUM | |
| SCHEMBL3145345 | 0.80 | HTR6 (0.74) | HTR6OXTRAVPR1A | |
| SCHEMBL4013715 | 0.79 | HTR6 (0.71) | HTR6OXTR | |
| SCHEMBL3153623 | 0.79 | HTR6 (0.70) | HTR6OXTR | |
| SCHEMBL3143423 | 0.78 | HTR6 (0.63) | HTR6OXTRAVPR1A | |
| SCHEMBL14983935 | 0.78 | OXTR (0.58) | HTR6OXTRAVPR1A |
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 8 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 |
| EP-0805681-A4 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1998-05-06 | — | — | EP | disclosed |
| EP-0805681-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1997-11-12 | — | — | EP | disclosed |
| US-5665719-A | Benzoxazinone and benzopyrimidinone piperidinyl tocolytic oxytocin receptor antagonists | MERCK & CO., INC. (US) | 1997-09-09 | — | — | US | disclosed |
| WO-1996022775-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1996-08-01 | — | — | WO | 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 |