Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | EDNRA | P25101 | 1/20 | 0.67 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.67 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.67 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | SCN9A | Q15858 | 6/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 3/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | IKBKB | O14920 | 1/20 | 0.54 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.51 |
| ▸ | SCN1A | P35498 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4636554 | 0.85 | SCN9A (0.61) | ALDH1A1LMNAKDM4ECYP2C9EDNRA | |
| SCHEMBL848949 | 0.82 | ALDH1A1 (0.91) | ALDH1A1LMNAKDM4ECYP2C9EDNRA | |
| Sulfathiazole SCHEMBL30130508 | 0.81 | ALDH1A1 (1.00) | ALDH1A1LMNAKDM4ECYP2C9EDNRA | |
| Sulfathiazole SCHEMBL94165 | 0.81 | ALDH1A1 (1.00) | ALDH1A1LMNAKDM4ECYP2C9EDNRA | |
| SCHEMBL326633 | 0.80 | ALDH1A1 (0.71) | ALDH1A1LMNAKDM4ECYP2C9EDNRA | |
| Sulfathiazole SCHEMBL18425505 | 0.79 | ALDH1A1 (0.97) | ALDH1A1LMNAKDM4ECYP2C9EDNRA | |
| Sulfathiazole SCHEMBL468436 | 0.79 | ALDH1A1 (0.97) | ALDH1A1LMNAKDM4ECYP2C9EDNRA | |
| Sulfathiazole SCHEMBL2194108 | 0.79 | ALDH1A1 (0.97) | ALDH1A1LMNAKDM4ECYP2C9EDNRA | |
| Hydrochloric Acid SCHEMBL27575105 | 0.79 | ALDH1A1 (0.69) | ALDH1A1LMNAKDM4ECYP2C9EDNRA | |
| SCHEMBL29494648 | 0.78 | ALDH1A1 (0.60) | ALDH1A1LMNAKDM4ECYP2C9EDNRA |
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-1934191-A2 | BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS | Vertex Pharmaceuticals, Inc. (US) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007047474-A2 | BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-04-26 | — | — | WO | disclosed |