Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28911185 | 0.82 | HPGD (0.53) | ALDH1A1CHRM2CHRM3BLMHPGD | |
| SCHEMBL28978297 | 0.82 | CHRM2 (0.49) | ALDH1A1CHRM2CHRM3BLMTSHR | |
| SCHEMBL29735378 | 0.81 | HPGD (0.51) | ALDH1A1CHRM2CHRM3BLMHPGD | |
| SCHEMBL28236571 | 0.80 | HPGD (0.50) | ALDH1A1CHRM2CHRM3BLMHPGD | |
| SCHEMBL9899355 | 0.79 | CHRM2 (0.50) | ALDH1A1CHRM2CHRM3BLMHPGD | |
| SCHEMBL4777237 | 0.79 | CYP4F2 (0.40) | ALDH1A1CYP2D6USP2CYP3A4CYP1A2 | |
| SCHEMBL9898356 | 0.76 | MEN1 (0.56) | ALDH1A1BLMMAPK1 | |
| SCHEMBL3977611 | 0.75 | CHRM2 (0.55) | ALDH1A1CHRM2CHRM3BLMHPGD | |
| SCHEMBL9928310 | 0.74 | BLM (0.51) | ALDH1A1CHRM2CHRM3BLMHPGD | |
| SCHEMBL8670380 | 0.74 | LMNA (0.63) | ALDH1A1SMN1; SMN2 |
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-115894489-A | Inhibitor of receptor interaction protein kinase 1, preparation method and application thereof | 中国药科大学 | 2023-04-04 | — | — | CN | disclosed |