Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | HTR1E | P28566 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10453479 | 0.80 | MAPT (0.39) | NPC1RAB9AMAPTNPSR1HTR1E | |
| SCHEMBL2083556 | 0.75 | HSD17B10 (0.44) | NPC1RAB9AMAPTNPSR1HTR1E | |
| SCHEMBL7980445 | 0.74 | SLC6A3 (0.38) | ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL28662620 | 0.74 | NPC1 (0.46) | NPC1RAB9AMAPTNPSR1HTR1E | |
| SCHEMBL29941731 | 0.73 | CYP1A2 (0.51) | ALDH1A1HDAC1CYP1A2CYP3A4 | |
| SCHEMBL29054794 | 0.73 | MAPT (0.39) | NPC1RAB9AMAPTNPSR1HTR1E | |
| SCHEMBL4726493 | 0.73 | ALDH1A1 (0.47) | MAPTALDH1A1KMT2ALMNATDP1 | |
| SCHEMBL7805350 | 0.72 | MAPK1 (0.38) | MAPTALDH1A1MAPK1CA1CA2 | |
| SCHEMBL2082451 | 0.70 | HSD17B10 (0.47) | NPC1RAB9AMAPTALDH1A1MAPK1 | |
| SCHEMBL6623092 | 0.69 | HSD17B10 (0.41) | NPC1RAB9AMAPTNPSR1HTR1E |
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-0604705-B1 | 4-Hydroxy-2'-nitrobutyrophenone and tetrahydro-2-(o-nitrophenyl)-2-furanol useful as intermediates in the preparation of a crop-selective herbicide | AMERICAN CYANAMID CO (US) | 1996-10-09 | — | — | EP | claimed |