Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8603006 | 0.98 | L3MBTL1 (0.38) | L3MBTL1ALDH1A1SMN1; SMN2MEN1FAAH | |
| SCHEMBL16081210 | 0.91 | — | — | |
| SCHEMBL27348329 | 0.84 | SOAT1 (0.40) | L3MBTL1ALDH1A1SMN1; SMN2MEN1FAAH | |
| SCHEMBL28139935 | 0.79 | MME (0.39) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL14436663 | 0.79 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL16404744 | 0.77 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2CYP2C19 | |
| SCHEMBL1876975 | 0.77 | CYP2C19 (0.40) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL20124746 | 0.77 | — | — | |
| SCHEMBL3654075 | 0.76 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL15971930 | 0.76 | EPHX1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2509957-A1 | CYSTEINE PROTEASE INHIBITORS | Medivir UK Ltd (GB) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011070541-A1 | CYSTEINE PROTEASE INHIBITORS | MEDIVIR UK LIMITED (GB) | 2011-06-16 | — | — | WO | disclosed |
| US-5846990-A | Substituted biphenyl isoxazole sulfonamides | BRISTOL-MYERS SQUIBB CO. (US) | 1998-12-08 | — | — | US | disclosed |