Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14948744 | 0.80 | ALDH1A1 (0.40) | ALDH1A1HPGDFFAR1KIF11CYP1A1 | |
| SCHEMBL9691788 | 0.79 | ALDH1A1 (0.34) | ALDH1A1HPGD | |
| SCHEMBL11941061 | 0.76 | CTSB (0.43) | — | |
| SCHEMBL11081681 | 0.76 | HTR2C (0.34) | ALDH1A1 | |
| SCHEMBL954765 | 0.76 | ALDH1A1 (0.42) | ALDH1A1HPGDFFAR1CYP1A1CYP1A2 | |
| SCHEMBL11342700 | 0.76 | APOBEC3G (0.38) | ALDH1A1 | |
| SCHEMBL28432972 | 0.76 | CYP2A13 (0.30) | — | |
| SCHEMBL3727526 | 0.73 | TSHR (0.36) | — | |
| SCHEMBL8378247 | 0.73 | TDP1 (0.34) | KIF11 | |
| SCHEMBL20592264 | 0.72 | TSHR (0.39) | ALDH1A1CYP1A2 |
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-116514816-A | Pyrimidinone pyrrole derivative and preparation method and medical application thereof | 深圳信立泰药业股份有限公司 | 2023-08-01 | — | — | CN | disclosed |