Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
| ▸ | HRH1 | P35367 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | FOLH1 | Q04609 | 10/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.36 |
| ▸ | CPB2 | Q96IY4 | 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 | |
|---|---|---|---|---|
| SCHEMBL3893901 | 0.97 | CHRM1 (0.55) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| Ammonia Solution, Strong SCHEMBL10355457 | 0.88 | SLC1A1 (0.46) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL3892318 | 0.86 | CHRM1 (0.52) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL36647 | 0.85 | — | — | |
| SCHEMBL928641 | 0.84 | FOLH1 (0.64) | FOLH1 | |
| SCHEMBL14764160 | 0.84 | CHRM1 (0.50) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL2230798 | 0.84 | CHRM1 (0.80) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL29100382 | 0.84 | GABRR1 (0.46) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL16061831 | 0.84 | CHRM1 (0.80) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL6557049 | 0.82 | SLC1A1 (0.46) | TDP1CHRM1AKR1A1CHRM3HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0725636-A1 | HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM | FHJ SCIENTIFIC, INC. (US) | 1996-08-14 | — | — | EP | disclosed |
| WO-1995010272-A1 | HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM | FHJ SCIENTIFIC, INC. (US) | 1995-04-20 | — | — | WO | disclosed |