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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | ACHE | P22303 | 2/20 | 0.55 |
| ▸ | BCHE | P06276 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.46 |
| ▸ | APLNR | P35414 | 1/20 | 0.46 |
| ▸ | CCR6 | P51684 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19272432 | 0.86 | ACHE (0.69) | ACHEBCHEHSD17B10PKMKMT2A | |
| SCHEMBL11364453 | 0.85 | TSHR (0.79) | TSHRKCNJ1KCNH2KMT2AMEN1 | |
| SCHEMBL4930091 | 0.85 | TSHR (0.61) | TSHRACHEBCHEKCNJ1KCNH2 | |
| SCHEMBL10316918 | 0.82 | ACHE (0.51) | TSHRACHEBCHEHSD17B10PKM | |
| Methyl Alcohol SCHEMBL5318262 | 0.81 | TSHR (0.92) | TSHRACHEHSD17B10KCNJ1KCNH2 | |
| Ethylene Glycol SCHEMBL29259798 | 0.81 | TSHR (0.55) | TSHRPKMCA12CA1CA2 | |
| SCHEMBL250473 | 0.81 | TSHR (1.00) | TSHRKCNJ1KCNH2KMT2AMEN1 | |
| SCHEMBL11235442 | 0.81 | KCNH2 (0.51) | TSHRACHEBCHEHSD17B10PKM | |
| SCHEMBL7408336 | 0.81 | BCHE (0.51) | ACHEBCHEKCNH2KMT2AMEN1 | |
| SCHEMBL8099886 | 0.81 | CYP2C9 (0.58) | KMT2AMEN1CA12CA1CA2 |
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 |