Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.40 |
| ▸ | RELA | Q04206 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8842831 | 0.83 | CTSD (0.52) | ALDH1A1GAAMAPTHDAC1CCR1 | |
| SCHEMBL6429130 | 0.82 | CCR1 (0.52) | ALDH1A1GAAMAPTHDAC1CCR1 | |
| SCHEMBL8785878 | 0.79 | ALDH1A1 (0.58) | ALDH1A1GAAMAPTHDAC1KDM4C | |
| SCHEMBL6444499 | 0.78 | CCR1 (0.48) | ALDH1A1GAAMAPTHDAC1CCR1 | |
| SCHEMBL7294255 | 0.72 | CYP3A4 (0.55) | ALDH1A1CCR1OPRM1OPRK1CTSD | |
| SCHEMBL6444039 | 0.72 | CCR1 (0.44) | ALDH1A1CCR1OPRM1OPRK1 | |
| SCHEMBL7277716 | 0.71 | CYP3A4 (0.45) | ALDH1A1CCR1OPRM1OPRK1CTSD | |
| SCHEMBL8732141 | 0.71 | CTSD (0.47) | ALDH1A1GAAMAPTHDAC1CCR1 | |
| SCHEMBL7364338 | 0.68 | CTSD (0.49) | ALDH1A1GAAMAPTHDAC1CCR1 | |
| SCHEMBL8735281 | 0.68 | CTSD (0.49) | ALDH1A1GAAMAPTHDAC1CCR1 |
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 |