Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ADH1B | P00325 | 2/20 | 0.46 |
| ▸ | ADH1C | P00326 | 2/20 | 0.46 |
| ▸ | ADH1A | P07327 | 2/20 | 0.46 |
| ▸ | ADH4 | P08319 | 2/20 | 0.46 |
| ▸ | ADH7 | P40394 | 2/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.45 |
| ▸ | GAPDH | P04406 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL720450 | 0.97 | TRPA1 (0.46) | TSHRADH1BADH1CADH1AADH4 | |
| Heptane SCHEMBL7200232 | 0.89 | SPHK1 (0.42) | TSHRADH1BADH1CADH1AADH4 | |
| Undecane SCHEMBL27602336 | 0.88 | TSHR (0.58) | TSHRADH1BADH1CADH1AADH4 | |
| Decane SCHEMBL30414302 | 0.88 | TSHR (0.58) | TSHRADH1BADH1CADH1AADH4 | |
| Decane SCHEMBL28167744 | 0.88 | TSHR (0.58) | TSHRADH1BADH1CADH1AADH4 | |
| Heptane SCHEMBL9572062 | 0.88 | TSHR (0.58) | TSHRADH1BADH1CADH1AADH4 | |
| Octane SCHEMBL2485910 | 0.88 | TSHR (0.58) | TSHRADH1BADH1CADH1AADH4 | |
| Dodecane SCHEMBL28752290 | 0.88 | TSHR (0.58) | TSHRADH1BADH1CADH1AADH4 | |
| Formic Acid SCHEMBL28813257 | 0.88 | TSHR (0.58) | TSHRADH1BADH1CADH1AADH4 | |
| Tridecane SCHEMBL28326257 | 0.88 | TSHR (0.58) | TSHRADH1BADH1CADH1AADH4 |
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-1150996-B1 | NEW AMIDINOBENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | ASTRAZENECA AB (SE) | 2007-11-21 | — | — | EP | disclosed |
| 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 |