Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 3/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 3/20 | 0.40 |
| ▸ | ITGAL | P20701 | 3/20 | 0.40 |
| ▸ | NLN | Q9BYT8 | 4/20 | 0.38 |
| ▸ | CCR2 | P41597 | 2/20 | 0.38 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28913772 | 0.82 | CYP3A4 (0.49) | NLN | |
| SCHEMBL27414269 | 0.75 | CYP3A4 (0.46) | ITGB2ICAM1ITGAL | |
| SCHEMBL10795770 | 0.73 | ITGB2 (0.46) | ITGB2ICAM1ITGALP2RY12 | |
| SCHEMBL27823573 | 0.72 | HRH3 (0.43) | ITGB2ICAM1ITGAL | |
| SCHEMBL28035475 | 0.71 | CYP3A4 (0.56) | ITGB2ICAM1ITGAL | |
| SCHEMBL10092612 | 0.70 | CYP3A4 (0.51) | ITGB2ICAM1ITGAL | |
| SCHEMBL12829313 | 0.70 | CYP3A4 (0.48) | ITGB2ICAM1ITGAL | |
| SCHEMBL28094778 | 0.66 | KMT2A (0.50) | ITGB2ICAM1ITGAL | |
| SCHEMBL27991996 | 0.66 | CYP3A4 (0.52) | NLN | |
| Pyrene SCHEMBL28162735 | 0.65 | SIRT2 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105085404-B | The pyrene compound of histidine methylester modification and its synthetic method and application | 华南师范大学 | 2017-08-08 | — | — | CN | claimed |
| CN-105085404-A | Pyrene compound modified with dl-histidine monohydrochloride and synthetizing method and application thereof | UNIV SOUTH CHINA NORMAL | 2015-11-25 | — | — | CN | claimed |
| CN-105085404-B | The pyrene compound of histidine methylester modification and its synthetic method and application | 华南师范大学 | 2017-08-08 | — | — | CN | disclosed |
| CN-105085404-A | Pyrene compound modified with dl-histidine monohydrochloride and synthetizing method and application thereof | UNIV SOUTH CHINA NORMAL | 2015-11-25 | — | — | CN | disclosed |