Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.43 |
| ▸ | CES2 | O00748 | 4/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.40 |
| ▸ | PPARG | P37231 | 6/20 | 0.40 |
| ▸ | PPARD | Q03181 | 6/20 | 0.40 |
| ▸ | PPARA | Q07869 | 6/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TLR2 | O60603 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | FABP4 | P15090 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL10864693 | 1.00 | CES1 (0.43) | CES1CES2AKR1B1DNM1GPR84 | |
| SCHEMBL9319567 | 0.84 | AKR1B1 (0.46) | CES1CES2AKR1B1GPR84PPARG | |
| SCHEMBL499749 | 0.82 | GPR84 (0.48) | CES1CES2AKR1B1GPR84PPARG | |
| SCHEMBL1067453 | 0.82 | FAAH (0.44) | CES1CES2AKR1B1DNM1GPR84 | |
| SCHEMBL19816066 | 0.81 | FAAH (0.47) | CES1CES2DNM1GPR84PPARG | |
| SCHEMBL3151120 | 0.79 | CES1 (0.50) | CES1CES2AKR1B1GPR84PPARG | |
| SCHEMBL2946250 | 0.79 | CES1 (0.50) | CES1CES2AKR1B1GPR84PPARG | |
| SCHEMBL2946248 | 0.79 | CES1 (0.50) | CES1CES2AKR1B1GPR84PPARG | |
| SCHEMBL9832450 | 0.78 | CYP2C9 (0.40) | CES1CES2AKR1B1DNM1GPR84 | |
| SCHEMBL28872177 | 0.78 | POLB (0.47) | CES1CES2AKR1B1DNM1GPR84 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4595762-A | 5-α-bromoalkanoyl-2-oxo-3-pyridinecarbonitriles | STERLING DRUG INC. (US) | 1986-06-17 | — | — | US | disclosed |
| US-4539327-A | 5-(2-Substituted-4-thiazolyl)-6-alkyl-2(1H)-pyridinones and cardiotonic use thereof | STERLING DRUG INC. (US) | 1985-09-03 | — | — | US | disclosed |
| US-4517192-A | 6-Alkyl-5-[4-(alkylsulfinyl or alkylsulfonyl)phenyl]-2(1H)-pyridinones and their use as cardiatonics | STERLING DRUG INC. (US) | 1985-05-14 | — | — | US | disclosed |
| US-4469699-A | 5-(4-Thiazolyl)-6-alkyl-2(1H)-pyridinones and their cardiotonic use | STERLING DRUG INC. (US) | 1984-09-04 | — | — | US | disclosed |