Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.36 |
| ▸ | XIAP | P98170 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | STK39 | Q9UEW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22681671 | 0.80 | NPC1 (0.51) | ARABL1NPC1HTTRAB9A | |
| SCHEMBL27806350 | 0.79 | ALDH1A1 (0.46) | CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1 | |
| SCHEMBL27784276 | 0.78 | MMP13 (0.44) | CYP2A6ARCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL18983653 | 0.75 | S1PR5 (0.44) | CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1 | |
| SCHEMBL11094738 | 0.73 | MAOB (0.53) | SMN1; SMN2 | |
| SCHEMBL17361672 | 0.73 | MAOB (0.54) | CYP2A6 | |
| SCHEMBL227363 | 0.72 | CYP1A2 (0.60) | CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1 | |
| SCHEMBL7176453 | 0.70 | DPP4 (0.53) | ARMAPK14HTTSMN1; SMN2L3MBTL1 | |
| SCHEMBL18983602 | 0.70 | HRH3 (0.59) | NPC1RAB9AL3MBTL1 | |
| SCHEMBL18983581 | 0.69 | S1PR5 (0.44) | CYP2A6NPC1RAB9ASMN1; SMN2L3MBTL1 |
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 |