Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.47 |
| ▸ | HTR2C | P28335 | 10/20 | 0.43 |
| ▸ | HTR2B | P41595 | 7/20 | 0.43 |
| ▸ | HTR2A | P28223 | 6/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11101784 | 0.98 | PARP1 (0.46) | PARP1HTR2CHTR2BHTR2AMAOA | |
| SCHEMBL2784144 | 0.86 | POLB (0.44) | PARP1MAOAMAOBTP53 | |
| SCHEMBL3628534 | 0.85 | PARP1 (0.50) | PARP1HTR2CHTR2BHTR2A | |
| Hydrochloric Acid SCHEMBL7496829 | 0.84 | HTR2C (0.47) | PARP1HTR2CHTR2BHTR2ATP53 | |
| SCHEMBL11242393 | 0.84 | HTR2C (0.49) | PARP1HTR2CHTR2BHTR2AMAOA | |
| SCHEMBL11096272 | 0.77 | CHRM2 (0.54) | — | |
| SCHEMBL1976916 | 0.75 | PARP1 (0.56) | PARP1HTR2CHTR2BHTR2A | |
| SCHEMBL2210808 | 0.75 | PARP1 (0.49) | PARP1HTR2CHTR2BHTR2ANAMPT | |
| SCHEMBL30658421 | 0.75 | PARP1 (0.49) | PARP1HTR2CHTR2BHTR2ANAMPT | |
| SCHEMBL2100919 | 0.74 | BRD4 (0.50) | PARP1HTR2CHTR2BHTR2A |
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 |