Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 2/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4183395 | 0.80 | CES2 (0.41) | CES2CES1NFE2L2TSHRPDPK1 | |
| SCHEMBL6933110 | 0.78 | CES2 (0.47) | CES2CES1NFE2L2PDPK1MME | |
| SCHEMBL28193191 | 0.76 | CES2 (0.45) | CES2CES1TSHRPDPK1APP | |
| SCHEMBL26674208 | 0.75 | CES2 (0.42) | CES2CES1TSHRPDPK1APP | |
| SCHEMBL247899 | 0.75 | CES2 (0.42) | CES2CES1NFE2L2PDPK1APP | |
| SCHEMBL25351287 | 0.75 | SHBG (0.41) | CES2CES1TSHRMAPK1TDP1 | |
| SCHEMBL20495193 | 0.75 | CES2 (0.42) | CES2CES1NFE2L2PDPK1APP | |
| SCHEMBL15011402 | 0.75 | CES2 (0.42) | CES2CES1TSHRPDPK1APP | |
| SCHEMBL84476 | 0.74 | LMNA (0.44) | CES2CES1NFE2L2TSHRHIF1A | |
| SCHEMBL3897101 | 0.74 | CES2 (0.53) | CES2CES1PDPK1MMEAKR1C3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004031148-A1 | PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-04-15 | — | — | WO | disclosed |