Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.60 |
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.51 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.51 |
| ▸ | CNR1 | P21554 | 1/20 | 0.51 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4187519 | 0.94 | CA1 (0.58) | ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL2919412 | 0.91 | ALDH1A1 (0.73) | ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL277032 | 0.85 | KDM4E (0.51) | ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL4872470 | 0.85 | GABRA2 (0.59) | CA1CA2KDM4ECA4CA9 | |
| SCHEMBL276776 | 0.85 | CNR1 (0.57) | ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL29838955 | 0.85 | CYP1A2 (0.57) | CYP2C9CYP2C19CA1CA2KDM4E | |
| SCHEMBL18353617 | 0.84 | ALDH1A1 (0.64) | ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL29838929 | 0.84 | KDM4E (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL700719 | 0.84 | CNR1 (0.58) | CYP19A1CNR1 | |
| SCHEMBL327857 | 0.83 | CNR1 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022164239-A1 | PYRAZOLE-CARBOXAMIDE DERIVATIVE COMPOUND AND USE THEREOF | 주식회사 파미노젠 | 2022-08-04 | — | — | WO | disclosed |