Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 2/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | TYK2 | P29597 | 2/20 | 0.38 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.37 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | ACKR3 | P25106 | 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 | |
|---|---|---|---|---|
| SCHEMBL8562699 | 0.88 | AVPR2 (0.39) | ITGB1ITGA4AKT1AVPR2AVPR1A | |
| SCHEMBL8559885 | 0.87 | AVPR2 (0.46) | AVPR2AVPR1A | |
| SCHEMBL8562449 | 0.87 | AVPR2 (0.46) | AVPR2AVPR1ATP53 | |
| SCHEMBL8558246 | 0.86 | AVPR2 (0.48) | ITGB1ITGA4TYK2AVPR2AVPR1A | |
| SCHEMBL8558194 | 0.86 | AKT1 (0.52) | AKT1TP53 | |
| SCHEMBL8559231 | 0.84 | AVPR2 (0.49) | TYK2AVPR2AVPR1AKMT2AJAK2 | |
| SCHEMBL8557883 | 0.84 | MEN1 (0.50) | AKT1AVPR2AVPR1AMEN1KMT2A | |
| SCHEMBL8559861 | 0.83 | AURKA (0.47) | AKT1AVPR2AVPR1A | |
| SCHEMBL8556942 | 0.82 | NPC1 (0.49) | MEN1KMT2AHTTTP53 | |
| SCHEMBL8562066 | 0.82 | AURKA (0.47) | AKT1AVPR2AVPR1AMEN1KMT2A |
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 1 patent. 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 |