Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 6/20 | 0.43 |
| ▸ | ITGB7 | P26010 | 6/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | VIPR2 | P41587 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL5074473 | 0.86 | F2 (0.53) | ITGA4ITGB7MMP2CA1CA2 | |
| Hydrochloric Acid SCHEMBL1548337 | 0.85 | F2 (0.53) | ITGA4ITGB7MMP2CA1CA2 | |
| SCHEMBL6526561 | 0.84 | NPC1 (0.42) | ITGA4ITGB7CA1CA2VIPR2 | |
| SCHEMBL6708363 | 0.81 | ITGA4 (0.40) | ITGA4ITGB7VIPR2NPC1TP53 | |
| SCHEMBL29913761 | 0.81 | F2 (0.48) | ITGA4ITGB7MMP2CA1CA2 | |
| SCHEMBL10475905 | 0.80 | CYP3A4 (0.35) | ITGA4ITGB7CA1CA2VIPR2 | |
| SCHEMBL13673897 | 0.78 | METAP2 (0.39) | CA2VIPR2SMN1; SMN2F2ALDH1A1 | |
| SCHEMBL6529744 | 0.76 | ITGA4 (0.44) | ITGA4ITGB7CA1CA2NPC1 | |
| SCHEMBL9274662 | 0.75 | ITGA4 (0.40) | ITGA4ITGB7CA1CA2ALDH1A1 | |
| SCHEMBL7060478 | 0.74 | BACE1 (0.39) | ITGA4ITGB7CA1CA2VIPR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0715618-A1 | HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-06-12 | — | — | EP | claimed |