Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.70 |
| ▸ | CA1 | P00915 | 2/20 | 0.68 |
| ▸ | CA2 | P00918 | 2/20 | 0.68 |
| ▸ | CA12 | O43570 | 1/20 | 0.68 |
| ▸ | CA9 | Q16790 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.67 |
| ▸ | POLB | P06746 | 1/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.66 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.64 |
| ▸ | GAA | P10253 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.63 |
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | RAB9A | P51151 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL14679077 | 0.85 | CYP3A4 (1.00) | L3MBTL1CYP3A4CYP2C9ALDH1A1KMT2A | |
| SCHEMBL161057 | 0.84 | CYP3A4 (0.81) | CYP3A4CYP2C9ALDH1A1KMT2APOLB | |
| SCHEMBL3518422 | 0.84 | IKBKB (0.64) | L3MBTL1POLB | |
| SCHEMBL10327416 | 0.82 | ALDH1A1 (0.80) | CYP3A4CYP2C9ALDH1A1KMT2APOLB | |
| SCHEMBL29596938 | 0.82 | ALDH1A1 (1.00) | L3MBTL1CYP3A4CYP2C9ALDH1A1KMT2A | |
| SCHEMBL3093633 | 0.82 | CYP3A4 (0.82) | CYP3A4CYP2C9ALDH1A1KMT2AMEN1 | |
| SCHEMBL8422583 | 0.82 | CA2 (1.00) | CYP2C9CA1CA2CA12CA9 | |
| SCHEMBL15598889 | 0.81 | CYP3A4 (0.74) | L3MBTL1CYP3A4CYP2C9ALDH1A1KMT2A | |
| SCHEMBL29596226 | 0.81 | ROCK2 (0.71) | CYP3A4CYP2C9ALDH1A1KMT2AMEN1 | |
| SCHEMBL3093627 | 0.81 | ROCK2 (0.71) | CYP3A4CYP2C9ALDH1A1KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1155278-A | Arylthio compounds as antibacteral and antiviral agents | WARNER LAMBERT CO (US) | 1997-07-23 | — | — | CN | claimed |
| EP-0775110-A1 | ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1997-05-28 | — | — | EP | claimed |
| WO-1996004242-A1 | ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1996-02-15 | — | — | WO | claimed |