Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL14461587 | 0.78 | SIGMAR1 (0.54) | SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL2898503 | 0.75 | SIGMAR1 (0.44) | SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL11705046 | 0.75 | SIGMAR1 (0.44) | SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL15899273 | 0.75 | SIGMAR1 (0.52) | SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL29870751 | 0.74 | SIGMAR1 (0.56) | SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL6568773 | 0.74 | SIGMAR1 (0.56) | SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL516020 | 0.74 | SIGMAR1 (0.56) | SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL11672429 | 0.74 | SIGMAR1 (0.56) | SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL19922612 | 0.74 | SIGMAR1 (0.47) | SIGMAR1ALDH1A1CYP2A6CYP1A2CYP2C19 | |
| SCHEMBL9051240 | 0.74 | SIGMAR1 (0.43) | SIGMAR1ALDH1A1CYP1A2CYP2C19CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112789263-A | Addition-fragmentation agents with pendant amine groups | 3M创新有限公司 | 2021-05-11 | — | — | CN | disclosed |
| US-6323235-B1 | CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS | OHTAKE ATSUSHI (JP) | 2001-11-27 | — | — | US | disclosed |
| US-6043264-A | A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA | TORAY INDUSTRIES, INC. (JP) | 2000-03-28 | — | — | US | disclosed |
| EP-0751126-A1 | BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME | TORAY INDUSTRIES, INC. (JP) | 1997-01-02 | — | — | EP | disclosed |