Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.59 |
| ▸ | ROCK1 | Q13464 | 8/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | PRKACA | P17612 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 4/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6959245 | 0.90 | MAPT (0.71) | HTTCYP3A4ROCK1MAPTNPC1 | |
| SCHEMBL6962797 | 0.88 | ROCK2 (0.56) | HTTCYP3A4ROCK1MAPTNPC1 | |
| SCHEMBL6962350 | 0.86 | ROCK1 (0.57) | HTTCYP3A4ROCK1MAPTPRKACA | |
| SCHEMBL6953866 | 0.86 | MEN1 (0.56) | HTTCYP3A4ROCK1MAPTNPC1 | |
| SCHEMBL6956316 | 0.86 | MAPT (0.58) | HTTCYP3A4ROCK1MAPTPRKACA | |
| SCHEMBL6964598 | 0.86 | NPC1 (0.59) | HTTCYP3A4ROCK1MAPTPRKACA | |
| SCHEMBL6962738 | 0.85 | ALDH1A1 (0.70) | HTTROCK1MAPTPRKACANPC1 | |
| SCHEMBL6956968 | 0.85 | MAPT (0.55) | HTTCYP3A4ROCK1MAPTNPC1 | |
| SCHEMBL6956833 | 0.85 | MAPT (0.56) | HTTCYP3A4ROCK1MAPTPRKACA | |
| SCHEMBL6958055 | 0.84 | MEN1 (0.65) | HTTCYP3A4ROCK1MAPTPRKACA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0540143-B1 | Compounds and methods for inhibition of HIV and related viruses | MEDIVIR AB (SE) | 2003-02-05 | — | — | EP | disclosed |
| US-5658907-A | THIOUREA VIRICIDES | MEDIVIR A/B (SE) | 1997-08-19 | — | — | US | disclosed |
| US-5593993-A | VIRICIDES FOR HTLV TREATMENT OF AIDS | MEDIVIR AB (SE) | 1997-01-14 | — | — | US | disclosed |
| EP-0540143-A2 | Compounds and methods for inhibition of HIV and related viruses | Medivir Aktiebolag (SE) | 1993-05-05 | — | — | EP | disclosed |
| WO-1993003022-A1 | COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES | MEDIVIR AB (SE) | 1993-02-18 | — | — | WO | disclosed |