Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 15/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4197599 | 0.86 | CCR5 (0.44) | CCR5KCNH2 | |
| SCHEMBL15487927 | 0.79 | SMN1; SMN2 (0.45) | CCR5ALDH1A1NPC1 | |
| SCHEMBL17262132 | 0.78 | CCR5 (0.35) | CCR5KCNH2 | |
| SCHEMBL1261911 | 0.78 | ALDH1A1 (0.56) | ALDH1A1NPC1ACHEMEN1KMT2A | |
| SCHEMBL23268045 | 0.78 | PHGDH (0.33) | CCR5ALDH1A1NPC1ACHEMEN1 | |
| SCHEMBL15491797 | 0.78 | HPGD (0.44) | ALDH1A1 | |
| SCHEMBL10190116 | 0.76 | PHGDH (0.32) | ALDH1A1NPC1ACHEMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL28221817 | 0.76 | ALDH1A1 (0.54) | ALDH1A1NPC1ACHEMEN1KMT2A | |
| SCHEMBL27855702 | 0.76 | CCR5 (0.39) | CCR5KCNH2 | |
| SCHEMBL3409476 | 0.75 | CCR5 (0.38) | CCR5KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3652177-A1 | PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS | Nerviano Medical Sciences S.r.l. (IT) | 2020-05-20 | — | — | EP | disclosed |
| WO-2019011715-A1 | PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2019-01-17 | — | — | WO | disclosed |