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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 16/20 | 0.61 |
| ▸ | ADRA1D | P25100 | 14/20 | 0.61 |
| ▸ | ADRA1B | P35368 | 14/20 | 0.61 |
| ▸ | ADRA2C | P18825 | 13/20 | 0.61 |
| ▸ | ADRA2A | P08913 | 10/20 | 0.61 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL11232303 | 0.88 | ADRA2C (0.68) | ADRA1AADRA1DADRA1BADRA2CADRA2A | |
| SCHEMBL11227694 | 0.83 | ADRA2C (0.69) | ADRA1AADRA1DADRA1BADRA2CADRA2A | |
| SCHEMBL6366946 | 0.74 | ADRA1A (1.00) | ADRA1AADRA1DADRA1BADRA2CADRA2A | |
| Fenmetozole SCHEMBL11252776 | 0.72 | ADRA1A (0.48) | ADRA1AADRA1DADRA1BADRA2CADRA2A | |
| SCHEMBL6366004 | 0.70 | ADRA1A (1.00) | ADRA1AADRA1DADRA1BADRA2CADRA2A | |
| SCHEMBL11263719 | 0.70 | NISCH (0.41) | ADRA1AADRA1DADRA1BADRA2CADRA2A | |
| SCHEMBL6366979 | 0.69 | ADRA1A (0.72) | ADRA1AADRA1DADRA1BADRA2CADRA2A | |
| Fumaric Acid SCHEMBL6366796 | 0.69 | ADRA1A (0.84) | ADRA1AADRA1DADRA1BADRA2CADRA2A | |
| Fumaric Acid SCHEMBL6366785 | 0.69 | ADRA1A (0.84) | ADRA1AADRA1DADRA1BADRA2CADRA2A | |
| SCHEMBL7141315 | 0.69 | LMNA (0.45) | ADRA1AADRA1DADRA1BADRA2CADRA2A |
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-4343810-A | Method of inhibiting sickling of sickle erythrocytes using 2-((haloanilino)methyl)-2-imidazolines | THE DOW CHEMICAL COMPANY (US) | 1982-08-10 | — | — | US | disclosed |