Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 3/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2105682 | 0.83 | — | — | |
| SCHEMBL4365990 | 0.71 | CYP2A6 (0.48) | PDK2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL23071560 | 0.70 | CYP2A6 (0.50) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL4287900 | 0.69 | PDK2 (0.44) | PDK2SLC22A12NPC1PTGS2RAB9A | |
| SCHEMBL8879482 | 0.68 | CYP2A6 (0.49) | CYP2A6CYP3A4ALDH1A1CYP1A2NPY5R | |
| SCHEMBL7952212 | 0.68 | CYP2A6 (0.49) | CYP2A6CYP3A4ALDH1A1CYP1A2NPC1 | |
| SCHEMBL28592408 | 0.67 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL7953803 | 0.65 | MKNK1 (0.46) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL4289010 | 0.65 | HSD17B1 (0.39) | CYP3A4CYP2C9 | |
| SCHEMBL20541087 | 0.64 | CYP2A6 (0.70) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 |
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-8163804-B2 | Composition for preventing harmful organisms | MITSUI CHEMICALS, INC. (JP) | 2012-04-24 | — | — | US | disclosed |