Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 8/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.42 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| 1,6-Hexanediol SCHEMBL5137760 | 0.94 | GPR84 (0.58) | GPR84LMNAFFAR1FFAR4PPARD | |
| 1,6-Hexanediol SCHEMBL5137115 | 0.94 | GPR84 (0.58) | GPR84LMNAFFAR1FFAR4PPARD | |
| 1,6-Hexanediol SCHEMBL5137134 | 0.94 | GPR84 (0.58) | GPR84LMNAFFAR1FFAR4PPARD | |
| 1,6-Hexanediol SCHEMBL5137145 | 0.94 | GPR84 (0.58) | GPR84LMNAFFAR1FFAR4PPARD | |
| SCHEMBL7202803 | 0.94 | GPR84 (0.58) | GPR84LMNAFFAR1FFAR4PPARD | |
| SCHEMBL3930995 | 0.94 | GPR84 (0.47) | GPR84LMNAFFAR1FFAR4SMN1; SMN2 | |
| SCHEMBL5137823 | 0.93 | LMNA (0.57) | GPR84LMNAFFAR1FFAR4PPARD | |
| SCHEMBL5136356 | 0.93 | LMNA (0.57) | GPR84LMNAFFAR1FFAR4PPARD | |
| SCHEMBL5137665 | 0.93 | LMNA (0.57) | GPR84LMNAFFAR1FFAR4PPARD | |
| SCHEMBL5137344 | 0.93 | LMNA (0.57) | GPR84LMNAFFAR1FFAR4PPARD |
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 |