Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | VCP | P55072 | 4/20 | 0.36 |
| ▸ | MAOA | P21397 | 3/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | AXL | P30530 | 1/20 | 0.34 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.34 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9370953 | 0.76 | CYP2A6 (0.38) | CYP2A6KEAP1ALDH1A1MAPTKDM4E | |
| SCHEMBL9544156 | 0.75 | HTR2C (0.49) | CYP2A6MAPTKDM4EMAOBMEN1 | |
| SCHEMBL9371975 | 0.74 | CYP3A4 (0.41) | CYP2A6KEAP1ALDH1A1MAPTKDM4E | |
| Hydrochloric Acid SCHEMBL7112841 | 0.73 | VCP (0.41) | CYP2A6KEAP1ALDH1A1MAPTKDM4E | |
| SCHEMBL9371950 | 0.70 | KDR (0.38) | CYP2A6KEAP1ALDH1A1MAPTKDM4E | |
| SCHEMBL9370928 | 0.70 | VCP (0.39) | CYP2A6KEAP1ALDH1A1MAPTKDM4E | |
| SCHEMBL9370838 | 0.69 | VCP (0.42) | CYP2A6KEAP1ALDH1A1MAPTKDM4E | |
| SCHEMBL9375722 | 0.69 | KDR (0.43) | CYP2A6KEAP1ALDH1A1MAPTKDM4E | |
| SCHEMBL17244572 | 0.68 | CYP2A6 (0.49) | CYP2A6KEAP1ALDH1A1MAPTKDM4E | |
| SCHEMBL16756025 | 0.68 | MAPT (0.50) | CYP2A6KEAP1ALDH1A1MAPTKDM4E |
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-0630373-A1 | INDOLE DERIVATIVES AS 5HT1C ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-12-28 | — | — | EP | disclosed |