Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.42 |
| ▸ | ADH1B | P00325 | 2/20 | 0.39 |
| ▸ | ADH1C | P00326 | 2/20 | 0.39 |
| ▸ | ADH1A | P07327 | 2/20 | 0.39 |
| ▸ | ADH4 | P08319 | 2/20 | 0.39 |
| ▸ | ADH7 | P40394 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.38 |
| ▸ | GAPDH | P04406 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Heptane SCHEMBL2836497 | 0.89 | SPHK1 (0.50) | SPHK1TSHRMAPTGPR84FFAR1 | |
| Heptane SCHEMBL5203374 | 0.89 | TSHR (0.48) | SPHK1ADH1BADH1CADH1AADH4 | |
| Hexane SCHEMBL28528904 | 0.86 | TSHR (0.40) | ADH1BADH1CADH1AADH4ADH7 | |
| Hexane SCHEMBL1889283 | 0.86 | TSHR (0.48) | SPHK1TSHRMAPTGPR84FFAR1 | |
| Hexane SCHEMBL720450 | 0.86 | TRPA1 (0.46) | SPHK1ADH1BADH1CADH1AADH4 | |
| Isopropyl Alcohol SCHEMBL1280109 | 0.83 | ALDH1A1 (0.38) | TSHR | |
| Isopropyl Alcohol SCHEMBL28456192 | 0.83 | ALDH1A1 (0.38) | TSHR | |
| Hexane SCHEMBL15911551 | 0.82 | TSHR (0.37) | ADH1BADH1CADH1AADH4ADH7 | |
| Isopropyl Alcohol SCHEMBL29165312 | 0.81 | ALDH1A1 (0.35) | TSHR | |
| Isopropyl Alcohol SCHEMBL28882754 | 0.81 | ALDH1A1 (0.35) | TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6599894-B1 | Competitive inhibitors of trypsin-like proteases, such as thrombin, and in treatment of conditions where inhibition of thrombin is required (e.g. thrombosis) or as anticoagulants | AstŕaZeneca AB (SE) | 2003-07-29 | — | — | US | disclosed |