Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 6/20 | 0.32 |
| ▸ | PPARD | Q03181 | 6/20 | 0.32 |
| ▸ | PPARA | Q07869 | 6/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.32 |
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TLR2 | O60603 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | FABP4 | P15090 | 2/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.32 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.32 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8742495 | 1.00 | CTSS (0.36) | CTSSCTSKAKR1B1CA2MAPK1 | |
| SCHEMBL28116924 | 0.92 | CES2 (0.40) | PPARGPPARDPPARAHDAC11TSHR | |
| SCHEMBL8380007 | 0.92 | CES2 (0.40) | PPARGPPARDPPARAHDAC11TSHR | |
| SCHEMBL8378502 | 0.92 | CES2 (0.40) | PPARGPPARDPPARAHDAC11TSHR | |
| SCHEMBL28593199 | 0.87 | ALDH1A1 (0.33) | CTSSCTSKTSHRALDH1A1MEN1 | |
| SCHEMBL1268268 | 0.87 | ALDH1A1 (0.33) | CTSSCTSKTSHRALDH1A1MEN1 | |
| Water SCHEMBL31742532 | 0.87 | ALDH1A1 (0.33) | CTSSCTSKTSHRALDH1A1MEN1 | |
| SCHEMBL8742654 | 0.83 | FDPS (0.32) | FDPSTSHRALDH1A1CES1 | |
| SCHEMBL9240632 | 0.82 | ALDH1A1 (0.37) | FDPSTSHRALDH1A1CES1 | |
| SCHEMBL28300133 | 0.79 | CES2 (0.42) | FDPSCES1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011141923-A2 | IMPROVED SYNTHESIS OF OPTICALLY PURE (S) - 3-CYANO-5-METHYL-HEXANOIC ACID ALKYL ESTER, AN INTERMEDIATE OF (S)- PREGABALIN | LUPIN LIMITED (IN) | 2011-11-17 | — | — | WO | disclosed |
| US-5164111-A | Polymerizable liquid-crystal material and polymers exhibiting liquid-crystal phases | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1992-11-17 | — | — | US | disclosed |