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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 5/20 | 0.45 |
| ▸ | LMNA | P02545 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.44 |
| ▸ | MEN1 | O00255 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | GAA | P10253 | 5/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7748719 | 1.00 | HTT (0.45) | HTTLMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL915455 | 0.88 | HTT (0.44) | HTTLMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL915452 | 0.88 | HTT (0.44) | HTTLMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL7750369 | 0.83 | KDM4E (0.58) | HTTALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL7750362 | 0.83 | KDM4E (0.58) | HTTALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL915904 | 0.82 | KDM4E (0.49) | HTTLMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL915903 | 0.82 | KDM4E (0.49) | HTTLMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL7748726 | 0.81 | ALDH1A1 (0.49) | HTTLMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL7750403 | 0.80 | KMT2A (0.59) | HTTLMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL7750396 | 0.80 | KMT2A (0.59) | HTTLMNAALDH1A1KMT2AMEN1 |
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-2001025192-A1 | GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE | MELACURE THERAPEUTICS AB (SE) | 2001-04-12 | — | — | WO | disclosed |