Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.53 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.52 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.52 |
| ▸ | ITGAL | P20701 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | REN | P00797 | 1/20 | 0.51 |
| ▸ | NLN | Q9BYT8 | 2/20 | 0.50 |
| ▸ | MME | P08473 | 1/20 | 0.50 |
| ▸ | ECE1 | P42892 | 1/20 | 0.50 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL21828676 | 1.00 | CYP3A4 (0.53) | CYP3A4SLC7A5ITGB2ICAM1ITGAL | |
| Hydrochloric Acid SCHEMBL20335511 | 0.99 | CYP3A4 (0.52) | CYP3A4SLC7A5ITGB2ICAM1ITGAL | |
| SCHEMBL21828646 | 0.95 | CYP3A4 (0.56) | CYP3A4SLC7A5RENNLN | |
| SCHEMBL29971719 | 0.91 | REN (0.60) | CYP3A4SLC7A5ITGB2ICAM1ITGAL | |
| SCHEMBL28133942 | 0.91 | REN (0.60) | CYP3A4SLC7A5ITGB2ICAM1ITGAL | |
| SCHEMBL21828671 | 0.88 | CYP3A4 (0.68) | CYP3A4SLC7A5ITGB2ICAM1ITGAL | |
| SCHEMBL13563455 | 0.87 | REN (0.67) | REN | |
| SCHEMBL30184773 | 0.86 | AGTR2 (0.60) | CYP3A4SLC7A5ITGB2ICAM1ITGAL | |
| SCHEMBL27826956 | 0.86 | AGTR2 (0.60) | CYP3A4SLC7A5ITGB2ICAM1ITGAL | |
| SCHEMBL29380221 | 0.86 | CYP3A4 (0.65) | CYP3A4SLC7A5ITGB2ICAM1ITGAL |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114832864-A | Metal-containing supramolecular catalyst based on histidine and/or alkyl substituted histidine, preparation and application thereof | 杭州诺莘科技有限责任公司 | 2022-08-02 | — | — | CN | disclosed |