Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28804439 | 0.81 | CA2 (0.38) | SMN1; SMN2CHRM1AKR1A1CHRM3HTR2A | |
| Lactic Acid SCHEMBL567251 | 0.79 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2CHRM1AKR1A1CHRM3 | |
| Butyl Alcohol SCHEMBL28178551 | 0.79 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2CHRM1AKR1A1CHRM3 | |
| Butyl Alcohol SCHEMBL18497679 | 0.79 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| SCHEMBL5271134 | 0.79 | CA2 (0.36) | CA2MAPK1ACE2GPR84FFAR1 | |
| Butyl Alcohol SCHEMBL430466 | 0.78 | — | — | |
| Butyl Alcohol SCHEMBL9847540 | 0.78 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2TDP1LMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL28111680 | 0.78 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2TDP1LMNAHSD17B10 | |
| SCHEMBL79779 | 0.78 | — | — | |
| SCHEMBL5386710 | 0.78 | — | — |
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-110117266-A | A kind of method that biomass platform chemicals add hydrogen to prepare biomass fuel oil molecule | 中国科学院大连化学物理研究所 | 2019-08-13 | — | — | CN | disclosed |