Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.48 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.45 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.45 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | ADH1B | P00325 | 1/20 | 0.39 |
| ▸ | ADH1C | P00326 | 1/20 | 0.39 |
| ▸ | ADH1A | P07327 | 1/20 | 0.39 |
| ▸ | ADH4 | P08319 | 1/20 | 0.39 |
| ▸ | ADH7 | P40394 | 1/20 | 0.39 |
| ▸ | CASP2 | P42575 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4529119 | 0.98 | ALDH1A1 (0.59) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL4528133 | 0.98 | ALDH1A1 (0.59) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL4536296 | 0.98 | ALDH1A1 (0.59) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL4514592 | 0.98 | ALDH1A1 (0.59) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL4533352 | 0.93 | TSHR (0.50) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL4525088 | 0.88 | ALDH1A1 (0.59) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL5453404 | 0.88 | ALDH1A1 (0.59) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| Hydrochloric Acid SCHEMBL5075772 | 0.86 | ALDH1A1 (0.56) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| Hydrochloric Acid SCHEMBL29613170 | 0.85 | ALDH1A1 (0.54) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL2520182 | 0.83 | TSHR (0.50) | TSHRALDH1A1PAOXS1PR2S1PR4 |
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-7507480-B2 | Corrosion-resistant metal surfaces | BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) | 2009-03-24 | — | — | US | disclosed |
| US-20060269760-A1 | Corrosion-resistant metal surfaces | ENERGY, UNITED STATES DEPARTMENT OF | 2006-11-30 | — | — | US | disclosed |