Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | INSR | P06213 | 1/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8134702 | 0.90 | NPC1 (0.56) | NPC1RAB9ACYP3A4MEN1KMT2A | |
| SCHEMBL8807664 | 0.88 | AR (0.47) | NPC1RAB9ACYP3A4 | |
| SCHEMBL8807397 | 0.86 | NPC1 (0.46) | NPC1RAB9ACYP3A4MEN1KMT2A | |
| SCHEMBL8809211 | 0.84 | MAOB (0.54) | MRGPRX4 | |
| SCHEMBL8810273 | 0.82 | MRGPRX4 (0.43) | MRGPRX4 | |
| SCHEMBL8808917 | 0.82 | XDH (0.45) | CYP3A4MRGPRX4 | |
| SCHEMBL8810163 | 0.81 | MRGPRX4 (0.41) | MRGPRX4MEN1KMT2A | |
| SCHEMBL8808406 | 0.81 | MRGPRX4 (0.41) | MRGPRX4 | |
| SCHEMBL8807665 | 0.80 | — | — | |
| SCHEMBL8808744 | 0.80 | NPC1 (0.47) | NPC1RAB9AMEN1KMT2A |
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-0805802-A1 | SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS | RHONE-POULENC RORER LIMITED (GB) | 1997-11-12 | — | — | EP | disclosed |
| WO-1996022978-A1 | SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS | RHONE POULENC RORER LIMITED (GB) | 1996-08-01 | — | — | WO | disclosed |