Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9846361 | 1.00 | CYP1A2 (0.38) | CYP1A2CYP2C19ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL9846352 | 0.92 | CYP1A2 (0.39) | CYP1A2CYP2C19ALDH1A1MAPTAKR1C3 | |
| SCHEMBL9846354 | 0.92 | CYP1A2 (0.39) | CYP1A2CYP2C19ALDH1A1MAPTAKR1C3 | |
| SCHEMBL9846414 | 0.88 | NPC1 (0.41) | CYP1A2CYP2C19ALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL9846415 | 0.88 | NPC1 (0.41) | CYP1A2CYP2C19ALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL9846362 | 0.88 | CYP1A2 (0.51) | CYP1A2CYP2C19ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL9846358 | 0.88 | CYP1A2 (0.51) | CYP1A2CYP2C19ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL9846353 | 0.81 | ALDH1A1 (0.35) | ALDH1A1KDM4ELMNAGAAPTGDR2 | |
| SCHEMBL9846356 | 0.81 | ALDH1A1 (0.35) | ALDH1A1KDM4ELMNAGAAPTGDR2 | |
| SCHEMBL9846346 | 0.80 | ALDH1A1 (0.40) | ALDH1A1RAB9AKMT2AMEN1LMNA |
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 |