Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL10639732 | 0.82 | ALDH1A1 (0.37) | ALDH1A1MAPTMEN1KMT2AGAA | |
| SCHEMBL5536325 | 0.76 | PPARG (0.38) | SLC6A3CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL8560718 | 0.75 | SLC1A3 (0.37) | ALDH1A1 | |
| SCHEMBL8560719 | 0.75 | SLC1A3 (0.37) | ALDH1A1 | |
| SCHEMBL10492500 | 0.72 | ALDH1A1 (0.41) | ALDH1A1MAPTGAATP53HPGD | |
| SCHEMBL10633619 | 0.72 | ALDH1A1 (0.41) | ALDH1A1MAPTGAATP53HPGD | |
| SCHEMBL16035139 | 0.72 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL10566564 | 0.70 | SLC6A3 (0.38) | ALDH1A1SLC6A3CHRM1AKR1A1CHRM3 | |
| SCHEMBL11663254 | 0.70 | PTGS2 (0.41) | ALDH1A1MAPTMEN1KMT2AGAA | |
| SCHEMBL5521612 | 0.69 | PPARG (0.39) | SLC6A3CHRM1AKR1A1CHRM3HTR2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4829074-A | INSECTICIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-05-09 | — | — | US | disclosed |
| EP-0194064-A2 | Azolyl substituted aralkyl compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-09-10 | — | — | EP | disclosed |