Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.46 |
| ▸ | HTR1B | P28222 | 2/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL342584 | 1.00 | ALDH1A1 (0.52) | ALDH1A1CYP2C9CYP2C19CYP1A2NR2E1 | |
| SCHEMBL30509738 | 1.00 | ALDH1A1 (0.52) | ALDH1A1CYP2C9CYP2C19CYP1A2NR2E1 | |
| Water SCHEMBL28672744 | 0.98 | ALDH1A1 (0.50) | ALDH1A1CYP2C9CYP2C19CYP1A2NR2E1 | |
| Hydrochloric Acid SCHEMBL693195 | 0.98 | ALDH1A1 (0.50) | ALDH1A1CYP2C9CYP2C19CYP1A2NR2E1 | |
| Hydrochloric Acid SCHEMBL2455223 | 0.98 | ALDH1A1 (0.50) | ALDH1A1CYP2C9CYP2C19CYP1A2NR2E1 | |
| Hydrochloric Acid SCHEMBL2475384 | 0.98 | ALDH1A1 (0.50) | ALDH1A1CYP2C9CYP2C19CYP1A2NR2E1 | |
| Oxalic Acid SCHEMBL17065865 | 0.89 | ALDH1A1 (0.48) | ALDH1A1CYP2C9CYP2C19CYP1A2NR2E1 | |
| Oxalic Acid SCHEMBL6474467 | 0.87 | ALDH1A1 (0.46) | ALDH1A1CYP2C9CYP2C19CYP1A2NR2E1 | |
| SCHEMBL4371154 | 0.82 | MTNR1A (0.43) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL4339652 | 0.82 | CYP2C19 (0.50) | ALDH1A1CYP2C9CYP2C19CYP1A2NR2E1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0380627-A4 | METHOD FOR MONITORING PERIODONTAL DISEASE BY MONITORING ENDOTOXINS AND INFLAMMATORY AGENTS | — | 1991-01-02 | — | — | EP | disclosed |
| EP-0380627-A1 | METHOD FOR MONITORING PERIODONTAL DISEASE BY MONITORING ENDOTOXINS AND INFLAMMATORY AGENTS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 1990-08-08 | — | — | EP | disclosed |
| WO-1990000620-A1 | METHOD FOR MONITORING PERIODONTAL DISEASE BY MONITORING ENDOTOXINS AND INFLAMMATORY AGENTS | THE TRUSTEES OF COLUMBIA UNIVERSITY (US) | 1990-01-25 | — | — | WO | disclosed |