Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | MMP14 | P50281 | 1/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL370075 | 0.81 | CYP2A6 (0.51) | CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL2114045 | 0.80 | SMN1; SMN2 (0.54) | CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL368844 | 0.72 | ALDH1A1 (0.53) | CYP2C19NPC1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL9521880 | 0.72 | CCNC (0.58) | NPC1RAB9AMAPTKMT2ALMNA | |
| SCHEMBL31434811 | 0.72 | CYP2E1 (0.60) | CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL7424477 | 0.72 | L3MBTL1 (0.52) | NPC1SMN1; SMN2RAB9AMAPTTP53 | |
| SCHEMBL30046162 | 0.72 | L3MBTL1 (0.52) | NPC1SMN1; SMN2RAB9AMAPTTP53 | |
| SCHEMBL2309187 | 0.72 | CYP2A6 (0.59) | CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6 | |
| Hydrochloric Acid SCHEMBL9839090 | 0.71 | CCNC (0.57) | NPC1RAB9AMAPTKMT2ALMNA | |
| SCHEMBL10162470 | 0.71 | CYP2A6 (0.72) | CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2593447-A2 | NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES | Bayer Intellectual Property GmbH (DE) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007500-A2 | NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2012-01-19 | — | — | WO | disclosed |