Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9743429 | 0.79 | GABRA1 (0.44) | ALDH1A1CYP3A4HPGDTDP1KDM4E | |
| SCHEMBL27761186 | 0.79 | ALDH1A1 (0.36) | ALDH1A1CYP3A4HPGDTDP1KDM4E | |
| SCHEMBL3955069 | 0.78 | CYP3A4 (0.47) | ALDH1A1CYP3A4HPGDTDP1KDM4E | |
| SCHEMBL27699035 | 0.75 | CYP3A4 (0.56) | ALDH1A1CYP3A4HPGDTDP1KDM4E | |
| SCHEMBL9491190 | 0.73 | CYP3A4 (0.53) | ALDH1A1CYP3A4HPGDTDP1GABRA1 | |
| SCHEMBL2157401 | 0.72 | ALDH1A1 (0.67) | ALDH1A1CYP3A4HPGDTDP1KDM4E | |
| SCHEMBL542562 | 0.72 | CYP3A4 (0.43) | ALDH1A1CYP3A4HPGDTDP1KDM4E | |
| SCHEMBL1021154 | 0.71 | CYP3A4 (0.47) | ALDH1A1CYP3A4HPGDTDP1KDM4E | |
| SCHEMBL30075523 | 0.71 | CYP3A4 (0.47) | ALDH1A1CYP3A4HPGDTDP1KDM4E | |
| SCHEMBL6721254 | 0.71 | KDM4E (0.44) | ALDH1A1CYP3A4HPGDTDP1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4605668-A | FOR BENZIMIDAZOLE, THIOPHANATE, AND/OR CYCLIC MIDE FUNGICIDERESISTANT PHYTOPATHOGENS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1986-08-12 | — | — | US | disclosed |
| EP-0126628-A1 | Fungicidal aniline derivatives | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1984-11-28 | — | — | EP | disclosed |