Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.40 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5663380 | 0.97 | CYP1A2 (0.41) | CYP1A2CYP2C9GABBR2GABBR1ALDH1A1 | |
| SCHEMBL5663932 | 0.79 | CYP1A2 (0.35) | CYP1A2CYP2C9GABBR2GABBR1ALDH1A1 | |
| SCHEMBL835332 | 0.79 | ERN1 (0.45) | CYP1A2CYP2C9ALDH1A1MEN1KMT2A | |
| SCHEMBL9358659 | 0.76 | HMGCR (0.37) | CYP1A2CYP2C9GABBR2GABBR1ALDH1A1 | |
| SCHEMBL24133365 | 0.75 | ERN1 (0.50) | ERN1 | |
| SCHEMBL5665974 | 0.74 | MEN1 (0.43) | CYP1A2CYP2C9ALDH1A1MEN1KMT2A | |
| SCHEMBL30777425 | 0.74 | ERN1 (0.48) | CYP1A2CYP2C9ALDH1A1MEN1KMT2A | |
| SCHEMBL835857 | 0.74 | ERN1 (0.48) | CYP1A2CYP2C9ALDH1A1MEN1KMT2A | |
| SCHEMBL647462 | 0.72 | ERN1 (0.50) | CYP2C9ALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL7085289 | 0.72 | HMGCR (0.50) | CYP1A2CYP2C9EGFRPTGS1 |
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-0418064-B1 | Naphthalene and tetrahydronaphthalene gem-diphosphonate derivatives | SYMPHAR SA (CH) | 1994-12-14 | — | — | EP | disclosed |
| US-5204336-A | Anticholestrol agents | SYMPHAR S.A. (CH) | 1993-04-20 | — | — | US | disclosed |
| EP-0418064-A2 | Naphthalene and tetrahydronaphthalene gem-diphosphonate derivatives | SYMPHAR S.A. (CH) | 1991-03-20 | — | — | EP | disclosed |