Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30675350 | 1.00 | ALDH1A1 (0.41) | ALDH1A1POLBCYP1A2CYP2C9SMN1; SMN2 | |
| SCHEMBL28521203 | 1.00 | ALDH1A1 (0.41) | ALDH1A1POLBCYP1A2CYP2C9SMN1; SMN2 | |
| SCHEMBL22978699 | 0.98 | ALDH1A1 (0.44) | ALDH1A1POLBCYP1A2CYP2C9SMN1; SMN2 | |
| SCHEMBL29530296 | 0.95 | CYP1A2 (0.37) | ALDH1A1POLBCYP1A2CYP2C9SMN1; SMN2 | |
| SCHEMBL20424119 | 0.95 | CYP1A2 (0.37) | ALDH1A1POLBCYP1A2CYP2C9SMN1; SMN2 | |
| SCHEMBL4751832 | 0.91 | ALDH1A1 (0.36) | ALDH1A1POLBCYP1A2CYP2C9SMN1; SMN2 | |
| SCHEMBL5412873 | 0.84 | ALDH1A1 (0.42) | ALDH1A1POLBCYP1A2CYP2C9SMN1; SMN2 | |
| SCHEMBL16965092 | 0.84 | ALDH1A1 (0.42) | ALDH1A1POLBCYP1A2CYP2C9SMN1; SMN2 | |
| SCHEMBL12283406 | 0.82 | ALDH1A1 (0.45) | ALDH1A1POLBCYP1A2CYP2C9SMN1; SMN2 | |
| SCHEMBL12282193 | 0.82 | ALDH1A1 (0.45) | ALDH1A1POLBCYP1A2CYP2C9SMN1; 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-112442029-A | Tetrahydropyrido [3,4-d ] pyrimidine derivative and application thereof in medicine | 四川海思科制药有限公司 | 2021-03-05 | — | — | CN | disclosed |