Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.63 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.60 |
| ▸ | PPARG | P37231 | 7/20 | 0.60 |
| ▸ | PPARD | Q03181 | 7/20 | 0.60 |
| ▸ | PPARA | Q07869 | 7/20 | 0.60 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.60 |
| ▸ | TSHR | P16473 | 4/20 | 0.60 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | TLR2 | O60603 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | FABP4 | P15090 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.60 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.60 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | ESR1 | P03372 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | PDE4A | P27815 | 1/20 | 0.60 |
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 SCHEMBL28927850 | 1.00 | AKR1B1 (0.63) | AKR1B1GPR84PPARGPPARDPPARA | |
| Tetradecane SCHEMBL4332025 | 0.97 | GPR84 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Heptane SCHEMBL28087513 | 0.97 | GPR84 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Decane SCHEMBL4332022 | 0.97 | GPR84 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Dodecanol SCHEMBL23364909 | 0.89 | TSHR (0.68) | GPR84PPARGPPARDPPARAHDAC11 | |
| Docosanol SCHEMBL28822935 | 0.89 | TSHR (0.68) | GPR84PPARGPPARDPPARAHDAC11 | |
| Butyl Alcohol SCHEMBL11548753 | 0.88 | ALDH1A1 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Glycolic Acid SCHEMBL9677003 | 0.87 | TSHR (0.57) | AKR1B1GPR84PPARGPPARDPPARA | |
| Myristyl Alcohol SCHEMBL29391910 | 0.87 | TSHR (0.65) | GPR84PPARGPPARDPPARAHDAC11 | |
| Stearic Acid SCHEMBL2116876 | 0.87 | GPR84 (0.85) | AKR1B1GPR84PPARGPPARDPPARA |
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 |
|---|---|---|---|---|---|---|---|
| US-20070027094-A1 | Inhibitors of nitric oxide synthase | MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) | 2007-02-01 | — | — | US | disclosed |
| WO-1999026657-A1 | INHIBITORS OF NITRIC OXIDE SYNTHASE | MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) | 1999-06-03 | — | — | WO | disclosed |
| EP-0104468-B1 | ARACHIDONIC ACID ANALOGUES AS ANTI-INFLAMMATORY AND ANTIALLERGIC AGENTS | SYNTEX (U.S.A.) INC. (US) | 1986-07-23 | — | — | EP | disclosed |