Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.49 |
| ▸ | RAB9A | P51151 | 6/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.47 |
| ▸ | TP53 | P04637 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8559689 | 0.87 | LMNA (0.53) | RAB9AKMT2AMEN1MAPTHTT | |
| SCHEMBL8561230 | 0.86 | AVPR1A (0.46) | TP53MAPT | |
| SCHEMBL8562066 | 0.86 | AURKA (0.47) | NPC1RAB9AKMT2AMEN1TP53 | |
| SCHEMBL8561948 | 0.85 | AVPR2 (0.51) | — | |
| SCHEMBL8558194 | 0.85 | AKT1 (0.52) | TP53MAPTAURKA | |
| SCHEMBL8558577 | 0.85 | AVPR2 (0.57) | — | |
| SCHEMBL8557883 | 0.84 | MEN1 (0.50) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL8561396 | 0.84 | AVPR2 (0.42) | MAPT | |
| SCHEMBL8562420 | 0.84 | AVPR2 (0.46) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL8559861 | 0.83 | AURKA (0.47) | AURKAAURKB |
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 |