Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL9846362 | 1.00 | CYP1A2 (0.51) | CYP1A2CYP2C19L3MBTL1KDM4ESMN1; SMN2 | |
| SCHEMBL9846354 | 0.92 | CYP1A2 (0.39) | CYP1A2CYP2C19NPC1AKR1C3AKR1C2 | |
| SCHEMBL9846352 | 0.92 | CYP1A2 (0.39) | CYP1A2CYP2C19NPC1AKR1C3AKR1C2 | |
| SCHEMBL9846414 | 0.88 | NPC1 (0.41) | CYP1A2CYP2C19SMN1; SMN2NPC1AKR1C3 | |
| SCHEMBL9846361 | 0.88 | CYP1A2 (0.38) | CYP1A2CYP2C19KDM4ESMN1; SMN2NPC1 | |
| SCHEMBL9846355 | 0.88 | CYP1A2 (0.38) | CYP1A2CYP2C19KDM4ESMN1; SMN2NPC1 | |
| SCHEMBL9846415 | 0.88 | NPC1 (0.41) | CYP1A2CYP2C19SMN1; SMN2NPC1AKR1C3 | |
| SCHEMBL9846353 | 0.81 | ALDH1A1 (0.35) | L3MBTL1KDM4ELMNAALDH1A1 | |
| SCHEMBL9846356 | 0.81 | ALDH1A1 (0.35) | L3MBTL1KDM4ELMNAALDH1A1 | |
| SCHEMBL9846346 | 0.80 | ALDH1A1 (0.40) | L3MBTL1NPC1LMNARAB9APPARG |
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-0416746-A2 | Fungicides containing an alkoxycarbonylvinyl group or an alkyloxyimino group | AGREVO UK LIMITED (GB) | 1991-03-13 | — | — | EP | disclosed |