Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6105419 | 0.94 | ALDH1A1 (0.48) | ALDH1A1MAPTHTTHSD11B1PAX8 | |
| SCHEMBL32679667 | 0.94 | ALDH1A1 (0.48) | ALDH1A1MAPTHTTHSD11B1PAX8 | |
| SCHEMBL3840493 | 0.85 | TDP1 (0.45) | ALDH1A1MAPTHTTHSD11B1PAX8 | |
| SCHEMBL6963206 | 0.82 | ALDH1A1 (0.44) | ALDH1A1MAPTHTTPAX8TSHR | |
| SCHEMBL6963196 | 0.82 | ALDH1A1 (0.44) | ALDH1A1MAPTHTTPAX8TSHR | |
| SCHEMBL59186 | 0.82 | ALDH1A1 (0.49) | ALDH1A1MAPTHTTPAX8TSHR | |
| SCHEMBL30355298 | 0.80 | ALDH1A1 (0.43) | ALDH1A1MAPTHTTGAAPKM | |
| SCHEMBL4742721 | 0.79 | ALDH1A1 (0.50) | ALDH1A1HTTCYP2D6TSHRSMN1; SMN2 | |
| SCHEMBL28774223 | 0.78 | MEN1 (0.46) | MAPTGAA | |
| SCHEMBL6104491 | 0.78 | ALDH1A1 (0.45) | ALDH1A1MAPTHTTPKMTSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1562919-A1 | PHENYLALKYL AND PYRIDYLALKYL PIPERAZINE DERIVATIVES | Warner-Lambert Company LLC (US) | 2005-08-17 | — | — | EP | disclosed |
| WO-2004041793-A1 | PHENYLALKYL AND PYRIDYLALKYL PIPERAZINE DERIVATIVES | WARNER-LAMBERT COMPANY LLC (US) | 2004-05-21 | — | — | WO | disclosed |