Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 9/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ALDH5A1 | P51649 | 2/20 | 0.34 |
| ▸ | ABAT | P80404 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | ESRRG | P62508 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL239232 | 0.79 | ESR1 (0.50) | ALDH1A1TSHRESR1ESR2CYP3A4 | |
| SCHEMBL242618 | 0.75 | CYP2A6 (0.38) | ALDH1A1TSHRHTTALDH5A1ABAT | |
| SCHEMBL677567 | 0.74 | ESR1 (0.52) | ALDH1A1TSHRESR1ESR2CYP3A4 | |
| SCHEMBL14702303 | 0.73 | ALDH1A1 (0.46) | ALDH1A1TSHRESR1ESR2HTT | |
| SCHEMBL11564596 | 0.72 | HRH3 (0.44) | ALDH1A1TSHRESR1ESR2CYP3A4 | |
| SCHEMBL16684959 | 0.72 | ESR1 (0.40) | ALDH1A1TSHRESR1ESR2CYP3A4 | |
| SCHEMBL11297263 | 0.71 | KEAP1 (0.42) | ALDH1A1TSHRESR1ESR2CYP3A4 | |
| SCHEMBL11437777 | 0.71 | SHBG (0.55) | ALDH1A1TSHRESR1ESR2CYP3A4 | |
| SCHEMBL5459169 | 0.71 | ESR1 (0.48) | ALDH1A1TSHRESR1ESR2CYP3A4 | |
| SCHEMBL10907259 | 0.71 | ESR1 (0.39) | ALDH1A1TSHRESR1ESR2CYP3A4 |
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-0365127-B1 | Substituted triazines | UNIROYAL CHEM CO INC (US) | 1999-01-27 | — | — | EP | disclosed |