Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | CA1 | P00915 | 4/20 | 0.56 |
| ▸ | CA2 | P00918 | 4/20 | 0.56 |
| ▸ | CA12 | O43570 | 3/20 | 0.56 |
| ▸ | CA3 | P07451 | 3/20 | 0.56 |
| ▸ | CA4 | P22748 | 3/20 | 0.56 |
| ▸ | CA6 | P23280 | 3/20 | 0.56 |
| ▸ | CA5A | P35218 | 3/20 | 0.56 |
| ▸ | CA7 | P43166 | 3/20 | 0.56 |
| ▸ | CA9 | Q16790 | 3/20 | 0.56 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.56 |
| ▸ | MMP2 | P08253 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL22742 | 0.77 | ALDH1A1 (1.00) | ALDH1A1CYP3A4MAPK1CA1CA2 | |
| SCHEMBL2122579 | 0.77 | ALDH1A1 (1.00) | ALDH1A1CYP3A4MAPK1CA1CA2 | |
| SCHEMBL4328031 | 0.77 | ALDH1A1 (1.00) | ALDH1A1CYP3A4MAPK1CA1CA2 | |
| SCHEMBL9762603 | 0.77 | ALDH1A1 (0.68) | ALDH1A1CYP3A4MAPK1CA1CA2 | |
| SCHEMBL9313173 | 0.77 | ALDH1A1 (1.00) | ALDH1A1CYP3A4MAPK1CA1CA2 | |
| SCHEMBL16713293 | 0.74 | ALDH1A1 (0.94) | ALDH1A1CYP3A4MAPK1CA1CA2 | |
| SCHEMBL329872 | 0.74 | ALDH1A1 (0.65) | ALDH1A1CYP3A4MAPK1CA1CA2 | |
| SCHEMBL6913638 | 0.74 | ALDH1A1 (0.65) | ALDH1A1CYP3A4MAPK1CA1CA2 | |
| SCHEMBL67558 | 0.74 | ALDH1A1 (0.65) | ALDH1A1CYP3A4MAPK1CA1CA2 | |
| 1,4-Dichlorobenzene SCHEMBL17801647 | 0.73 | ALDH1A1 (0.63) | ALDH1A1CYP3A4MAPK1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5578619-A | LEUKOTRIENE B4 ANTAGONISTS, ANTIINFLAMMATORY AGENTS | SEARLE & CO (US) | 1996-11-26 | — | — | US | disclosed |
| WO-1995032201-A1 | ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-SULFONIMIDES DERIVATIVES, THEIR PREPARATION AND THEIR USE AS LEUKOTRIENE B4 ANTAGONISTS | G.D. SEARLE & CO. (US) | 1995-11-30 | — | — | WO | disclosed |