Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.75 |
| ▸ | AHR | P35869 | 8/20 | 0.57 |
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL358001 | 0.87 | ALDH1A1 (1.00) | ALDH1A1AHRTSHRHSD17B10HPGD | |
| SCHEMBL560391 | 0.80 | ALDH1A1 (0.86) | ALDH1A1AHRTSHRHSD17B10HPGD | |
| SCHEMBL9563947 | 0.78 | ALDH1A1 (0.52) | ALDH1A1AHRTSHRHSD17B10HPGD | |
| Pentachlorobenzene SCHEMBL27636543 | 0.78 | CYP3A4 (0.73) | ALDH1A1AHRTSHRHSD17B10HPGD | |
| SCHEMBL8165912 | 0.75 | ALDH1A1 (0.75) | ALDH1A1AHRTSHRHSD17B10HPGD | |
| SCHEMBL4459925 | 0.73 | AHR (1.00) | ALDH1A1AHRTSHRHSD17B10HPGD | |
| SCHEMBL29351204 | 0.73 | ALDH1A1 (0.61) | ALDH1A1AHRTSHRHSD17B10HPGD | |
| SCHEMBL54507 | 0.73 | KMT2A (0.47) | ALDH1A1TSHRHSD17B10HPGDCYP3A4 | |
| SCHEMBL180195 | 0.73 | ALDH1A1 (0.61) | ALDH1A1AHRTSHRHSD17B10HPGD | |
| SCHEMBL27835679 | 0.73 | ALDH1A1 (0.71) | ALDH1A1AHRTSHRHSD17B10HPGD |
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-106103683-A | Dynamic process for the partial or total removal of organic halogenated compounds contained in drinks, in particular wine | IFP新能源公司 | 2016-11-09 | — | — | CN | disclosed |