Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL115193 | 0.86 | TP53 (0.38) | MAPTALDH1A1HPGDKDM4EESR1 | |
| SCHEMBL707866 | 0.83 | ESR1 (0.40) | ESR1 | |
| Naphthalene SCHEMBL28055828 | 0.80 | CYP2A6 (0.36) | CYP1A2ALDH1A1HPGDKDM4ETDP1 | |
| SCHEMBL14437830 | 0.79 | KIF11 (0.46) | KIF11CYP1A2MAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL6751471 | 0.79 | ALDH1A1 (0.43) | CYP1A2MAPTSMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL11128894 | 0.78 | ESR1 (0.34) | MAPTESR1 | |
| SCHEMBL8693286 | 0.78 | LTA4H (0.52) | HPGDNPC1RAB9A | |
| Biphenyl SCHEMBL8342873 | 0.77 | ALDH1A1 (0.47) | KIF11CYP1A2MAPTSMN1; SMN2L3MBTL1 | |
| Diphenylamine SCHEMBL7525400 | 0.75 | HSD17B10 (0.48) | CYP1A2MAPTL3MBTL1ALDH1A1HPGD | |
| SCHEMBL10318044 | 0.75 | CYP1A2 (0.46) | KIF11CYP1A2MAPTSMN1; SMN2L3MBTL1 |
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-0068813-A2 | Fungicidal 1,2,4-triazole and imidazole derivatives | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1983-01-05 | — | — | EP | disclosed |