Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.57 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.55 |
| ▸ | ITGB2 | P05107 | 3/20 | 0.52 |
| ▸ | ICAM1 | P05362 | 3/20 | 0.52 |
| ▸ | ITGAL | P20701 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.49 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27747542 | 0.92 | CYP3A4 (0.56) | CYP3A4SLC7A5SLC15A2ITGB2ICAM1 | |
| SCHEMBL27806351 | 0.90 | CYP3A4 (0.60) | CYP3A4SLC7A5SLC15A2CA1CA2 | |
| SCHEMBL21828671 | 0.89 | CYP3A4 (0.68) | CYP3A4SLC7A5SLC15A2ITGB2ICAM1 | |
| SCHEMBL29380221 | 0.86 | CYP3A4 (0.65) | CYP3A4SLC7A5SLC15A2ITGB2ICAM1 | |
| SCHEMBL28027302 | 0.86 | SLC15A2 (0.71) | CYP3A4SLC7A5SLC15A2ITGB2ICAM1 | |
| SCHEMBL29593008 | 0.86 | CYP3A4 (0.54) | CYP3A4SLC7A5SLC15A2ITGB2ICAM1 | |
| SCHEMBL30409074 | 0.86 | SLC15A2 (0.71) | CYP3A4SLC7A5SLC15A2ITGB2ICAM1 | |
| SCHEMBL18381336 | 0.85 | ITGB2 (0.55) | CYP3A4SLC7A5SLC15A2ITGB2ICAM1 | |
| SCHEMBL21748180 | 0.85 | CYP3A4 (0.59) | CYP3A4SLC7A5SLC15A2ITGB2ICAM1 | |
| SCHEMBL29868096 | 0.85 | CYP3A4 (0.59) | CYP3A4SLC7A5SLC15A2ITGB2ICAM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190156919-A1 | DETERMINING RELATIONSHIPS BETWEEN RISKS FOR BIOLOGICAL CONDITIONS AND DYNAMIC ANALYTES | ARIVALE, INC. (US) | 2019-05-23 | — | — | US | disclosed |
| CN-101951935-A | Therapeutic agent for cerebral ischemic disorder | OTSUKA PHARMA CO LTD | 2011-01-19 | — | — | CN | disclosed |