Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.80 |
| ▸ | RAB9A | P51151 | 1/20 | 0.80 |
| ▸ | MEN1 | O00255 | 2/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.74 |
| ▸ | NQO1 | P15559 | 4/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | TP53 | P04637 | 2/20 | 0.67 |
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.67 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.67 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.67 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | VKORC1 | Q9BQB6 | 5/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL8945430 | 0.87 | NPC1 (0.62) | NPC1RAB9AMEN1KMT2ANQO1 | |
| SCHEMBL10638322 | 0.86 | NQO1 (0.73) | NPC1RAB9AMEN1KMT2ANQO1 | |
| SCHEMBL14169915 | 0.84 | NQO1 (0.75) | NPC1RAB9AMEN1KMT2ANQO1 | |
| Dicumarol SCHEMBL29703314 | 0.80 | NQO1 (1.00) | MEN1KMT2ANQO1CYP3A4CYP2C9 | |
| Dicumarol SCHEMBL33891 | 0.80 | NQO1 (1.00) | MEN1KMT2ANQO1CYP3A4CYP2C9 | |
| Dicumarol SCHEMBL7454901 | 0.80 | NQO1 (1.00) | MEN1KMT2ANQO1CYP3A4CYP2C9 | |
| Dicumarol SCHEMBL17927706 | 0.79 | NQO1 (0.96) | MEN1KMT2ANQO1CYP3A4CYP2C9 | |
| SCHEMBL1649087 | 0.79 | NQO1 (0.67) | NPC1RAB9AMEN1KMT2ANQO1 | |
| SCHEMBL1648186 | 0.78 | NQO1 (1.00) | MEN1KMT2ANQO1CYP3A4CYP2C9 | |
| SCHEMBL9526995 | 0.78 | NQO1 (0.75) | NPC1RAB9AMEN1KMT2ANQO1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0980867-B1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES (JP) | 2007-08-08 | — | — | EP | disclosed |
| US-6100292-A | Ketone derivatives and their medical applications | TORAY INDUSTRIES, INC. (JP) | 2000-08-08 | — | — | US | disclosed |
| EP-0980867-A1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 2000-02-23 | — | — | EP | disclosed |