Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.38 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.38 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | TACR2 | P21452 | 1/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL7352165 | 1.00 | GAA (0.39) | GAACYP3A4LMNAUSP2CYP2D6 | |
| SCHEMBL7424747 | 0.90 | HTT (0.46) | GAAPOLBADAM17HTTREN | |
| SCHEMBL7424741 | 0.90 | HTT (0.46) | GAAPOLBADAM17HTTREN | |
| SCHEMBL7358901 | 0.88 | CYP3A4 (0.41) | CYP3A4LMNAUSP2CYP2D6ALDH1A1 | |
| SCHEMBL7353045 | 0.87 | ADAM17 (0.44) | GAAPOLBADAM17HTTPSEN1 | |
| SCHEMBL7353051 | 0.87 | ADAM17 (0.44) | GAAPOLBADAM17HTTPSEN1 | |
| SCHEMBL7358269 | 0.85 | CYP3A4 (0.39) | CYP3A4LMNAUSP2CYP2D6ALDH1A1 | |
| SCHEMBL7360300 | 0.81 | BACE1 (0.40) | CYP3A4ABCC3ABCC4CACNA1FABCB11 | |
| SCHEMBL8897548 | 0.77 | BACE1 (0.33) | CYP3A4ALDH1A1ADAM17HTTREN | |
| SCHEMBL8897311 | 0.75 | REN (0.38) | ALDH1A1REN |
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 |
|---|---|---|---|---|---|---|---|
| US-5614522-A | SULFONAMIDE AND UREA-CONTAINING HYDROXYETHYLAMINE COMPOUNDS | G.D. SEARLE & CO. (US) | 1997-03-25 | — | — | US | disclosed |
| EP-0558673-A1 | RETROVIRAL PROTEASE INHIBITORS. | MONSANTO CO (US) | 1993-09-08 | — | — | EP | disclosed |
| WO-1992008699-A1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1992-05-29 | — | — | WO | disclosed |