Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | PDE2A | O00408 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CXCR3 | P49682 | 3/20 | 0.40 |
| ▸ | P2RX3 | P56373 | 3/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL21667369 | 0.84 | ALDH1A1 (0.64) | ALDH1A1LMNAL3MBTL1POLBCYP3A4 | |
| SCHEMBL24469529 | 0.80 | CYP3A4 (0.59) | CYP3A4CYP2B6CXCR3P2RX3SMN1; SMN2 | |
| SCHEMBL24469691 | 0.78 | EED (0.46) | — | |
| SCHEMBL21667378 | 0.77 | ALDH1A1 (0.45) | ALDH1A1LMNAL3MBTL1POLBCYP3A4 | |
| SCHEMBL21667332 | 0.76 | CYP3A4 (0.49) | ALDH1A1LMNAL3MBTL1POLBCYP3A4 | |
| SCHEMBL20716038 | 0.75 | CYP3A4 (0.61) | ALDH1A1LMNAL3MBTL1POLBCYP3A4 | |
| SCHEMBL21667306 | 0.74 | CYP3A4 (0.50) | ALDH1A1LMNAL3MBTL1POLBCYP3A4 | |
| SCHEMBL21667347 | 0.74 | CYP3A4 (0.50) | ALDH1A1LMNAL3MBTL1POLBCYP3A4 | |
| SCHEMBL21667381 | 0.74 | PDE5A (0.48) | ALDH1A1LMNAL3MBTL1POLBCYP3A4 | |
| SCHEMBL21667338 | 0.73 | CYP3A4 (0.41) | ALDH1A1LMNAL3MBTL1POLBCYP3A4 |
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-2022111498-A1 | PYRIMIDINEDIONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2022-06-02 | — | — | WO | disclosed |