Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR2 | P30518 | 8/20 | 0.44 |
| ▸ | AVPR1A | P37288 | 4/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8827641 | 0.69 | AVPR2 (0.40) | AVPR2AVPR1AHDAC1HDAC6ALDH1A1 | |
| SCHEMBL8827639 | 0.68 | AVPR2 (0.65) | AVPR2AVPR1AHDAC1HDAC6ALDH1A1 | |
| SCHEMBL8827579 | 0.67 | AVPR2 (0.52) | AVPR2AVPR1AHDAC1HDAC6 | |
| SCHEMBL8827575 | 0.67 | AVPR2 (0.47) | AVPR2AVPR1AHDAC1HDAC6GPBAR1 | |
| SCHEMBL8827591 | 0.65 | AVPR2 (0.60) | AVPR2AVPR1AHDAC1HDAC6ALDH1A1 | |
| SCHEMBL8827570 | 0.65 | AVPR2 (0.49) | AVPR2AVPR1AHDAC1HDAC6 | |
| Hydrochloric Acid SCHEMBL8827701 | 0.65 | F10 (0.51) | AVPR2AVPR1AHDAC1HDAC6 | |
| SCHEMBL8827697 | 0.64 | AVPR2 (0.50) | AVPR2AVPR1AHDAC1HDAC6 | |
| SCHEMBL8827612 | 0.64 | AVPR2 (0.54) | AVPR2AVPR1AHDAC1HDAC6 | |
| SCHEMBL8827668 | 0.64 | AVPR2 (0.49) | AVPR2AVPR1AHDAC1HDAC6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5498609-A | Benzoazepinyl compounds as oxytocin and vasopressin antagonists | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1996-03-12 | — | — | US | disclosed |
| EP-0612319-A1 | BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-08-31 | — | — | EP | disclosed |
| WO-1994004525-A1 | BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-03-03 | — | — | WO | disclosed |