Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.35 |
| ▸ | PPARG | P37231 | 7/20 | 0.35 |
| ▸ | PPARD | Q03181 | 7/20 | 0.35 |
| ▸ | PPARA | Q07869 | 7/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.35 |
| ▸ | TLR2 | O60603 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | FABP4 | P15090 | 2/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7789658 | 0.95 | FOLH1 (0.43) | ALDH1A1FOLH1FFAR4FFAR1AKR1B1 | |
| SCHEMBL7784233 | 0.82 | FOLH1 (0.46) | ALDH1A1FOLH1FFAR4FFAR1KMT2A | |
| SCHEMBL7784239 | 0.82 | FOLH1 (0.40) | ALDH1A1FOLH1FFAR4FFAR1 | |
| SCHEMBL10452860 | 0.79 | RNPEP (0.50) | ALDH1A1FOLH1FFAR4FFAR1AKR1B1 | |
| SCHEMBL7793669 | 0.79 | FOLH1 (0.49) | ALDH1A1FOLH1FFAR4FFAR1 | |
| SCHEMBL7784238 | 0.79 | FOLH1 (0.49) | ALDH1A1FOLH1FFAR4FFAR1 | |
| SCHEMBL7784226 | 0.78 | GSTK1 (0.44) | ALDH1A1FOLH1FFAR4FFAR1AKR1B1 | |
| SCHEMBL7789981 | 0.78 | FOLH1 (0.50) | ALDH1A1FOLH1FFAR4FFAR1KMT2A | |
| SCHEMBL7784218 | 0.77 | FOLH1 (0.42) | ALDH1A1FOLH1FFAR4FFAR1AKR1B1 | |
| SCHEMBL1516585 | 0.76 | ALDH1A1 (0.61) | ALDH1A1FFAR4FFAR1AKR1B1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0947503-B1 | 6,8-Dimethylmercaptooctanoic acid derivatives substituted on 6-S and/or 8-S by the 3-methylthiopropanoyl radical and pharmaceutical compositions for the treatment of cancerous tumours | GALDERMA RES & DEV (FR) | 2001-11-21 | — | — | EP | claimed |