Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.45 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.45 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.45 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | TACR2 | P21452 | 1/20 | 0.45 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8735281 | 1.00 | CTSD (0.49) | CTSDHDAC1CYP3A4OPRM1OPRK1 | |
| SCHEMBL8842831 | 0.83 | CTSD (0.52) | CTSDHDAC1CYP3A4OPRM1OPRK1 | |
| SCHEMBL8735285 | 0.81 | CTSD (0.45) | CTSDHDAC1CYP3A4OPRM1OPRK1 | |
| SCHEMBL8732141 | 0.81 | CTSD (0.47) | CTSDHDAC1CYP3A4OPRM1OPRK1 | |
| SCHEMBL8731972 | 0.77 | MMP3 (0.49) | — | |
| SCHEMBL6444839 | 0.77 | ALDH1A1 (0.58) | CTSDHDAC1ALDH1A1TP53GAA | |
| SCHEMBL561849 | 0.77 | ALDH1A1 (0.58) | CTSDHDAC1ALDH1A1TP53GAA | |
| SCHEMBL8734194 | 0.77 | CYP3A4 (0.55) | CTSDHDAC1CYP3A4OPRM1OPRK1 | |
| Hydrochloric Acid SCHEMBL4862500 | 0.76 | ALDH1A1 (0.57) | CTSDHDAC1ALDH1A1TP53GAA | |
| SCHEMBL7277774 | 0.76 | CTSD (0.57) | CTSDHDAC1CYP3A4OPRM1OPRK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5602175-A | HYDROXYETHYLAMINE COMPOUNDS; USEFUL IN TREATMENT OF INFECTIONS CAUSED BY THE HUMAN IMMUNODEFICIENCY VIRUS | G.D. SEARLE & CO. (US) | 1997-02-11 | — | — | US | disclosed |
| EP-0558673-B1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO CO (US) | 1996-04-17 | — | — | EP | disclosed |
| US-5482947-A | ENZYME INHIBITORS FOR HIV PROTEASE INHIBITION FROM UREA OR THIOUREA COMPOUNDS | TALLEY JOHN J (US) | 1996-01-09 | — | — | US | disclosed |
| EP-0558603-A1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1993-09-08 | — | — | EP | disclosed |
| WO-1992008688-A1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1992-05-29 | — | — | WO | disclosed |