Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.45 |
| ▸ | AVPR2 | P30518 | 3/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.44 |
| ▸ | LDHB | P07195 | 1/20 | 0.44 |
| ▸ | OXTR | P30559 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8557382 | 0.87 | AVPR2 (0.50) | NAMPTNPC1HPGDRAB9AKMT2A | |
| SCHEMBL8563752 | 0.85 | ALDH1A1 (0.57) | ALDH1A1MAPTAVPR1AAVPR2OXTR | |
| SCHEMBL8564664 | 0.83 | NAMPT (0.47) | NAMPTNPC1HPGDRAB9AKMT2A | |
| SCHEMBL8561675 | 0.83 | NAMPT (0.50) | ALDH1A1NAMPTAVPR1A | |
| SCHEMBL8558667 | 0.82 | NAMPT (0.54) | ALDH1A1MAPTNAMPTNPC1HPGD | |
| SCHEMBL8558454 | 0.80 | GRM1 (0.57) | AVPR1AAVPR2OXTR | |
| SCHEMBL7331304 | 0.77 | KMT2A (0.48) | KMT2AAVPR1AAVPR2 | |
| SCHEMBL8312861 | 0.76 | AVPR1A (0.45) | AVPR1AAVPR2 | |
| SCHEMBL8562680 | 0.76 | ALDH1A1 (0.59) | ALDH1A1NAMPTHPGDRAB9AAVPR1A | |
| SCHEMBL8316301 | 0.76 | AVPR2 (0.42) | AVPR1AAVPR2 |
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-0640592-B1 | N-acylated tricyclic azaheterorings useful as vasopressin antagonists | AMERICAN CYANAMID CO (US) | 1998-12-30 | — | — | EP | disclosed |
| EP-0640592-A1 | N-acylated tricyclic azaheterorings useful as vasopressin antagonists | AMERICAN CYANAMID COMPANY (US) | 1995-03-01 | — | — | EP | disclosed |