Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MLYCD | O95822 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL6122699 | 0.77 | NPC1 (0.42) | NPC1RAB9ALTA4HTSHRMAPT | |
| SCHEMBL10919613 | 0.77 | GCK (0.48) | NPC1RAB9ALTA4HTSHRMAPT | |
| SCHEMBL8830201 | 0.73 | NPC1 (0.39) | NPC1RAB9ALTA4HTSHRMAPT | |
| SCHEMBL4533063 | 0.73 | LTA4H (0.43) | NPC1RAB9ALTA4HTSHRMAPT | |
| SCHEMBL4535436 | 0.73 | ALDH1A1 (0.46) | NPC1RAB9ALTA4HTSHRMAPT | |
| SCHEMBL5343234 | 0.73 | KDM4E (0.45) | KDM4EL3MBTL1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL8830203 | 0.73 | HCRTR1 (0.43) | NPC1RAB9ALTA4HTSHRMAPT | |
| SCHEMBL11587669 | 0.73 | GAA (0.63) | MAPTKDM4EGAAALDH1A1SMN1; SMN2 | |
| SCHEMBL11049409 | 0.69 | NPC1 (0.36) | NPC1RAB9ALTA4HTSHRMAPT | |
| SCHEMBL95516 | 0.65 | KDM4E (0.53) | NPC1RAB9AMAPTKMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5395845-A | Insecticides | ROUSSEL-UCLAF (FR) | 1995-03-07 | — | — | US | disclosed |
| US-4501894-A | Heterocyclic alcohols and their derivatives | ROUSSEL UCLAF (FR) | 1985-02-26 | — | — | US | disclosed |
| US-4450169-A | PESTICIDES; NEMATOCIDES; FUNGICIDES; MITICIDES; REPELLANTS | ROUSSEL UCLAF (FR) | 1984-05-22 | — | — | US | disclosed |