Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.57 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | KMO | O15229 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL20547613 | 1.00 | ALDH1A1 (0.60) | ALDH1A1GAAKMT2AMEN1NPC1 | |
| SCHEMBL1986403 | 0.89 | CES2 (0.70) | ALDH1A1GAAKMT2AMEN1CES2 | |
| SCHEMBL5500374 | 0.88 | TP53 (0.67) | ALDH1A1KMT2AMEN1CES2CES1 | |
| SCHEMBL1982760 | 0.84 | GSK3B (0.66) | ALDH1A1KMT2AMEN1POLBCES2 | |
| SCHEMBL29768853 | 0.83 | CES2 (0.62) | ALDH1A1GAAKMT2AMEN1NPC1 | |
| SCHEMBL3571484 | 0.83 | CES2 (0.62) | ALDH1A1GAAKMT2AMEN1NPC1 | |
| SCHEMBL7406991 | 0.83 | TP53 (0.65) | ALDH1A1GAAKMT2AMEN1CES2 | |
| SCHEMBL10793736 | 0.82 | TSHR (0.66) | ALDH1A1GAAKMT2AMEN1POLB | |
| SCHEMBL31226266 | 0.82 | ALDH1A1 (0.66) | ALDH1A1GAAKMT2AMEN1CES2 | |
| SCHEMBL10790552 | 0.81 | TSHR (0.65) | ALDH1A1GAAKMT2AMEN1POLB |
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-110573503-B | Pyrrole derivatives as PLK1 inhibitors | 圣提内尔肿瘤学有限公司 | 2023-03-17 | — | — | CN | disclosed |