Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PROKR1 | Q8TCW9 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TYMS | P04818 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28537635 | 0.85 | TSHR (0.37) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28555375 | 0.80 | RAB9A (0.40) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29172412 | 0.72 | P2RX3 (0.41) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17814738 | 0.68 | TNF (0.42) | ALDH1A1HTTMEN1KMT2ALMNA | |
| SCHEMBL29172435 | 0.63 | P2RX3 (0.42) | CYP2C9LMNAGAAP2RX3NOD1 | |
| SCHEMBL28547235 | 0.63 | RAB9A (0.45) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL17814735 | 0.61 | PNP (0.57) | KMT2A | |
| SCHEMBL28551647 | 0.59 | — | — | |
| SCHEMBL30804819 | 0.59 | BRD4 (0.42) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL11719377 | 0.59 | P2RX3 (0.54) | ALDH1A1HTTMEN1KMT2ALMNA |
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-112409331-A | Heterocyclic derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-02-26 | — | — | CN | disclosed |