Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 2/20 | 0.51 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.51 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | CTSS | P25774 | 6/20 | 0.46 |
| ▸ | CTSK | P43235 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | KDM4A | O75164 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.45 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14249722 | 1.00 | ACE (0.51) | ACEITGB3ITGA2BMAPK1KMT2A | |
| SCHEMBL11374461 | 0.90 | ACE (0.62) | ACEITGB3ITGA2BMAPK1KMT2A | |
| SCHEMBL11512962 | 0.90 | ACE (0.62) | ACEITGB3ITGA2BMAPK1KMT2A | |
| SCHEMBL31407471 | 0.88 | ITGB3 (0.50) | ACEITGB3ITGA2BMAPK1KMT2A | |
| SCHEMBL4468471 | 0.88 | ACE (0.62) | ACEITGB3ITGA2BMAPK1CTSS | |
| SCHEMBL14250514 | 0.88 | ACE (0.62) | ACEITGB3ITGA2BMAPK1CTSS | |
| SCHEMBL4004856 | 0.88 | ACE (0.62) | ACEITGB3ITGA2BMAPK1CTSS | |
| SCHEMBL7666029 | 0.85 | ACE (0.49) | ACEITGB3ITGA2BMAPK1KMT2A | |
| SCHEMBL10299865 | 0.85 | ACE (0.53) | ACEITGB3ITGA2BMAPK1KMT2A | |
| SCHEMBL29398258 | 0.83 | CA2 (0.51) | ACEITGB3ITGA2BMAPK1KMT2A |
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-103582644-B | Phthalazinone-Pyrrolopyrimidine Carboxamide Derivatives | 塔科达有限责任公司 | 2016-07-20 | — | — | CN | disclosed |