Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22721226 | 0.80 | CHRM1 (0.48) | ALDH1A1MAPTPTGS1TDP1CHRM1 | |
| SCHEMBL9633535 | 0.79 | FFAR3 (0.38) | ALDH1A1TDP1CHRM1AKR1A1CHRM3 | |
| SCHEMBL315108 | 0.79 | CHRM1 (0.35) | ALDH1A1TDP1CHRM1AKR1A1CHRM3 | |
| SCHEMBL401412 | 0.78 | HSPD1 (0.37) | ALDH1A1MAPTPTGS1TDP1CHRM1 | |
| SCHEMBL10925798 | 0.77 | CA2 (0.38) | ALDH1A1MAPTPTGS1TDP1CHRM1 | |
| SCHEMBL12891264 | 0.76 | CA2 (0.41) | ALDH1A1MAPTPTGS1TDP1CHRM1 | |
| SCHEMBL2631146 | 0.76 | CA2 (0.41) | ALDH1A1MAPTPTGS1TDP1CHRM1 | |
| SCHEMBL739847 | 0.76 | HSPD1 (0.37) | ALDH1A1TDP1CHRM1AKR1A1CHRM3 | |
| SCHEMBL276534 | 0.76 | CA2 (0.41) | ALDH1A1MAPTPTGS1TDP1CHRM1 | |
| SCHEMBL5188446 | 0.75 | CHRM1 (0.37) | TDP1CHRM1AKR1A1CHRM3HTR2A |
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-109010845-B | Modification method of antitumor drug | 青岛大学 | 2021-11-30 | — | — | CN | disclosed |