Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGM2 | P21980 | 2/20 | 0.58 |
| ▸ | CES1 | P23141 | 7/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.58 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.58 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.58 |
| ▸ | BCHE | P06276 | 4/20 | 0.56 |
| ▸ | ACHE | P22303 | 2/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | APAF1 | O14727 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4596097 | 1.00 | TGM2 (0.58) | TGM2CES1ALDH1A1CHRM1ALDH3A1 | |
| SCHEMBL1337353 | 0.82 | CA12 (0.57) | ALDH1A1CA12MAPTPOLBHPGD | |
| SCHEMBL18955151 | 0.81 | CA1 (0.71) | CA12 | |
| SCHEMBL18954691 | 0.80 | TGM2 (0.68) | TGM2CES1ALDH1A1CHRM1ALDH3A1 | |
| SCHEMBL5426500 | 0.79 | TGM2 (0.52) | TGM2CES1ALDH1A1CHRM1ALDH3A1 | |
| SCHEMBL4596020 | 0.78 | TGM2 (0.61) | TGM2CES1ALDH1A1CHRM1ALDH3A1 | |
| SCHEMBL18974754 | 0.78 | TGM2 (0.61) | TGM2CES1ALDH1A1CHRM1ALDH3A1 | |
| SCHEMBL18954909 | 0.78 | ALDH1A1 (0.71) | TGM2CES1ALDH1A1CHRM1ALDH3A1 | |
| SCHEMBL5430327 | 0.78 | CHRM1 (0.63) | TGM2CES1ALDH1A1CHRM1ALDH3A1 | |
| SCHEMBL15928248 | 0.78 | TGM2 (0.75) | TGM2CES1ALDH1A1CHRM1ALDH3A1 |
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-115485271-A | Novel compounds as inhibitors of poly (ADP-ribose) polymerase (PARP) | 理森制药股份公司 | 2022-12-16 | — | — | CN | disclosed |