Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.37 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6171138 | 0.82 | ALDH1A1 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL12208517 | 0.77 | CYP3A4 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL4576468 | 0.75 | SLC22A12 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL7469245 | 0.73 | SLC22A12 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL8477318 | 0.72 | RAB9A (0.45) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL22685832 | 0.71 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL31037386 | 0.71 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL12404328 | 0.70 | CRHBP (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL8843367 | 0.70 | CYP3A4 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL8646348 | 0.70 | HPGD (0.45) | CYP1A2CYP3A4CYP2C19MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6136842-A | INHIBITION OF ENDOTHELIN-CONVERTING ENZYME | HOECHST MARION ROUSSEL (FR) | 2000-10-24 | — | — | US | disclosed |