Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.42 |
| ▸ | FSHR | P23945 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28996339 | 0.93 | CYP2D6 (0.50) | CYP2D6CTSLCTSBCTSSCTSK | |
| SCHEMBL21858202 | 0.91 | CTSB (0.46) | CTSLCTSBCTSSCTSKALDH1A1 | |
| SCHEMBL3331774 | 0.86 | CTSL (0.47) | CTSLCTSBCTSSALDH1A1CCR1 | |
| SCHEMBL15796942 | 0.85 | MEN1 (0.44) | — | |
| SCHEMBL15797644 | 0.85 | MEN1 (0.44) | — | |
| SCHEMBL15878183 | 0.85 | MEN1 (0.44) | — | |
| SCHEMBL606983 | 0.85 | CTSB (0.46) | CTSLCTSBCTSSCTSKALDH1A1 | |
| SCHEMBL14638266 | 0.84 | CTSB (0.47) | CTSLCTSBCTSSCTSKALDH1A1 | |
| SCHEMBL7500297 | 0.83 | MEN1 (0.47) | CYP2D6CTSLCTSBCTSSALDH1A1 | |
| SCHEMBL14417796 | 0.83 | CTSL (0.45) | CYP2D6CTSLCTSBCTSSALDH1A1 |
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-2022166974-A1 | PYRIDOPYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF | 武汉人福创新药物研发中心有限公司 | 2022-08-11 | — | — | WO | disclosed |