Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29836089 | 0.87 | ALDH1A1 (0.47) | CYP2A6MAOAMAOBALDH1A1HPGD | |
| SCHEMBL6238887 | 0.87 | ALDH1A1 (0.47) | CYP2A6MAOAMAOBALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL28694708 | 0.85 | ALDH1A1 (0.46) | CYP2A6MAOAMAOBALDH1A1HPGD | |
| SCHEMBL4495800 | 0.84 | TSHR (0.52) | CYP2A6MAOAMAOBALDH1A1HPGD | |
| Sulfuric Acid SCHEMBL30114767 | 0.79 | CES1 (0.41) | CYP2A6MAOAALDH1A1HPGDKDM4E | |
| SCHEMBL18661331 | 0.78 | TSHR (0.57) | CYP2A6MAOAMAOBALDH1A1HPGD | |
| SCHEMBL6310183 | 0.77 | DYRK1A (0.38) | ALDH1A1HPGDKDM4ETSHRGAA | |
| SCHEMBL1498003 | 0.76 | ALDH1A1 (0.59) | CYP2A6MAOAALDH1A1HPGDKDM4E | |
| SCHEMBL4488551 | 0.74 | ALDH1A1 (0.50) | CYP2A6MAOAALDH1A1HPGDKDM4E | |
| SCHEMBL10558990 | 0.69 | RYR2 (0.48) | MAOBALDH1A1HPGDKDM4EMAPT |
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-0350846-A2 | Condensed heterocyclic compounds and their use in therapy | F. HOFFMANN-LA ROCHE AG (CH) | 1990-01-17 | — | — | EP | disclosed |