Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.84 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 6/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 6/20 | 0.54 |
| ▸ | HTT | P42858 | 4/20 | 0.54 |
| ▸ | USP2 | O75604 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | CNR2 | P34972 | 4/20 | 0.47 |
| ▸ | CNR1 | P21554 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11922678 | 0.90 | TSHR (0.68) | TSHRALDH1A1KDM4EALOX12L3MBTL1 | |
| SCHEMBL2746322 | 0.85 | TSHR (0.61) | TSHRALDH1A1KDM4EALOX12L3MBTL1 | |
| SCHEMBL2746077 | 0.82 | TSHR (0.57) | TSHRALDH1A1KDM4EALOX12L3MBTL1 | |
| SCHEMBL5522047 | 0.81 | TSHR (0.59) | TSHRALDH1A1KDM4EALOX12L3MBTL1 | |
| SCHEMBL2745895 | 0.81 | TSHR (0.56) | TSHRALDH1A1KDM4EALOX12L3MBTL1 | |
| SCHEMBL2746315 | 0.80 | TSHR (0.55) | TSHRALDH1A1KDM4EALOX12L3MBTL1 | |
| SCHEMBL5515532 | 0.80 | TSHR (0.67) | TSHRALDH1A1KDM4EALOX12L3MBTL1 | |
| SCHEMBL2745517 | 0.80 | TSHR (0.57) | TSHRALDH1A1KDM4EALOX12L3MBTL1 | |
| SCHEMBL5519568 | 0.80 | TSHR (0.57) | TSHRALDH1A1KDM4EALOX12L3MBTL1 | |
| SCHEMBL11905994 | 0.79 | TSHR (0.54) | TSHRALDH1A1KDM4EALOX12L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8367666-B2 | 3-carbamoyl-2-pyridone derivatives | SHIONOGI & CO., LTD. (JP) | 2013-02-05 | — | — | US | disclosed |
| US-8178681-B2 | methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency | SHIONOGI & CO., LTD. (JP) | 2012-05-15 | — | — | US | disclosed |