Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.33 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.33 |
| ▸ | ITGAL | P20701 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 5/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.31 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.31 |
| ▸ | PRKAA1 | Q13131 | 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 | |
|---|---|---|---|---|
| SCHEMBL24687985 | 1.00 | ALDH1A1 (0.38) | ALDH1A1LMNANPSR1ITGB2ICAM1 | |
| SCHEMBL23972244 | 1.00 | ALDH1A1 (0.38) | ALDH1A1LMNANPSR1ITGB2ICAM1 | |
| SCHEMBL30132794 | 0.90 | PGR (0.36) | ALDH1A1LMNANPSR1ITGB2ICAM1 | |
| SCHEMBL25314565 | 0.90 | PGR (0.36) | ALDH1A1LMNANPSR1ITGB2ICAM1 | |
| SCHEMBL25313456 | 0.86 | ALDH1A1 (0.35) | ALDH1A1NPSR1ITGB2ICAM1ITGAL | |
| SCHEMBL30227438 | 0.86 | CYP11B2 (0.34) | CYP11B2CYP11B1MEN1KMT2A | |
| SCHEMBL30227515 | 0.86 | CYP11B2 (0.34) | CYP2C19CYP11B2CYP11B1MEN1KMT2A | |
| SCHEMBL25314894 | 0.86 | CYP11B2 (0.34) | CYP2C19CYP11B2CYP11B1MEN1KMT2A | |
| SCHEMBL25313037 | 0.86 | CYP11B2 (0.34) | CYP11B2CYP11B1MEN1KMT2A | |
| SCHEMBL25314511 | 0.85 | ALDH1A1 (0.42) | ALDH1A1ITGB2ICAM1ITGALEGLN1 |
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-117321044-A | Poly (ADP-ribose) polymerase inhibitors | 理森制药股份公司 | 2023-12-29 | — | — | CN | disclosed |