Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8963015 | 1.00 | CYP1A2 (0.36) | CYP1A2CYP2D6CYP2C19RAB9AMAPT | |
| SCHEMBL8962774 | 0.89 | NQO1 (0.35) | SMN1; SMN2KMT2AALDH1A1DGAT1 | |
| SCHEMBL8962782 | 0.89 | NQO1 (0.35) | SMN1; SMN2KMT2AALDH1A1DGAT1 | |
| SCHEMBL9299861 | 0.83 | DRD2 (0.39) | — | |
| SCHEMBL9299863 | 0.83 | DRD2 (0.39) | — | |
| SCHEMBL8962855 | 0.82 | CYP1A2 (0.33) | CYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL8962861 | 0.82 | CYP1A2 (0.33) | CYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL8963282 | 0.82 | RAB9A (0.43) | CYP1A2CYP2D6CYP2C19RAB9AMAPT | |
| SCHEMBL8963278 | 0.82 | RAB9A (0.43) | CYP1A2CYP2D6CYP2C19RAB9AMAPT | |
| SCHEMBL8963209 | 0.81 | CSF1R (0.35) | MEN1KMT2AIDO1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0559860-B1 | HALOVINYL-DERIVATIVES | HOFFMANN LA ROCHE (CH) | 1996-02-14 | — | — | EP | disclosed |
| US-5364556-A | Halovinyl-derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-11-15 | — | — | US | disclosed |