Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Methylpiperazine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 20/20 | 0.67 |
| ▸ | NUDT14 | O95848 | 1/20 | 0.67 |
| ▸ | NUDT5 | Q9UKK9 | 1/20 | 0.67 |
| ▸ | LCK | P06239 | 4/20 | 0.63 |
| ▸ | SRC | P12931 | 1/20 | 0.63 |
| ▸ | KDR | P35968 | 1/20 | 0.63 |
| ▸ | TEK | Q02763 | 1/20 | 0.63 |
| ▸ | EGFR | P00533 | 3/20 | 0.62 |
| ▸ | ITK | Q08881 | 2/20 | 0.61 |
| ▸ | KIT | P10721 | 1/20 | 0.59 |
| ▸ | FLT3 | P36888 | 1/20 | 0.59 |
| ▸ | CRBN | Q96SW2 | 4/20 | 0.57 |
| ▸ | LYN | P07948 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL6433244 | 0.96 | BTK (0.73) | BTKNUDT14NUDT5LCKSRC | |
| SCHEMBL19638288 | 0.94 | BTK (0.75) | BTKNUDT14NUDT5LCKSRC | |
| Methylpiperazine SCHEMBL7141852 | 0.92 | BTK (0.66) | BTKNUDT14NUDT5LCKSRC | |
| Hydrochloric Acid SCHEMBL29494176 | 0.92 | BTK (0.68) | BTKNUDT14NUDT5LCKEGFR | |
| Hydrochloric Acid SCHEMBL28719796 | 0.92 | BTK (0.68) | BTKNUDT14NUDT5LCKEGFR | |
| Morpholine SCHEMBL7140370 | 0.90 | BTK (0.69) | BTKNUDT14NUDT5LCKEGFR | |
| Acetic Acid SCHEMBL6433269 | 0.88 | BTK (0.74) | BTKNUDT14NUDT5LCKEGFR | |
| SCHEMBL6433637 | 0.87 | BTK (0.68) | BTKNUDT14NUDT5LCKSRC | |
| SCHEMBL17951588 | 0.85 | BTK (0.79) | BTKNUDT14NUDT5LCKSRC | |
| SCHEMBL17951522 | 0.85 | BTK (0.77) | BTKNUDT14NUDT5LCKEGFR |
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 |
|---|---|---|---|---|---|---|---|
| US-6660744-B1 | Kinase inhibitors | ABBOTT GMBH & CO. KG (DE) | 2003-12-09 | — | — | US | disclosed |