Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4600073 | 0.85 | CYP2A6 (0.48) | CYP2A6ALDH1A1GAADRD2LMNA | |
| SCHEMBL14481405 | 0.83 | LIPG (0.38) | ALDH1A1CYP2D6CYP2C19CYP1A2BID | |
| SCHEMBL29356330 | 0.77 | ALDH1A1 (0.44) | ALDH1A1LMNABCL2L1 | |
| SCHEMBL6241252 | 0.77 | DPP4 (0.41) | ALDH1A1LMNABCL2L1 | |
| SCHEMBL7470640 | 0.77 | LIPG (0.47) | ALDH1A1CYP2D6CYP2C19KCNH2CYP1A2 | |
| SCHEMBL6256898 | 0.77 | ALDH1A1 (0.44) | ALDH1A1LMNABCL2L1 | |
| SCHEMBL27844075 | 0.76 | CYP2A6 (0.43) | CYP2A6ALDH1A1GAAKDM4EHTR2B | |
| SCHEMBL27844052 | 0.75 | MTNR1A (0.36) | CYP2A6 | |
| SCHEMBL8055673 | 0.73 | AKR1B1 (0.45) | CYP2A6KDM4EADRA1ACYP1A2 | |
| SCHEMBL27537693 | 0.73 | PNMT (0.42) | ALDH1A1GAADRD2CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101768086-A | Amino methanol derivant and salt compound thereof as well as synthesizing method and medical application thereof | BEIJING FUKA BIOTECHNOLOGY CO | 2010-07-07 | — | — | CN | disclosed |