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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 2/20 | 0.44 |
| ▸ | BRAF known ✓ | P15056 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.57 |
| ▸ | MAPT | P10636 | 5/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | HTT | P42858 | 3/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | AHR | P35869 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL18190776 | 0.83 | KDM4E (0.51) | TDP1KDM4EMAPTSMN1; SMN2ALDH1A1 | |
| Water SCHEMBL18190778 | 0.83 | KDM4E (0.51) | TDP1KDM4EMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL162188 | 0.83 | L3MBTL1 (0.50) | KDM4EMAPTSMN1; SMN2ALDH1A1HTT | |
| Hydrochloric Acid SCHEMBL28847816 | 0.81 | L3MBTL1 (0.49) | KDM4EMAPTSMN1; SMN2ALDH1A1HTT | |
| Hydrochloric Acid SCHEMBL6385939 | 0.81 | L3MBTL1 (0.49) | KDM4EMAPTSMN1; SMN2ALDH1A1HTT | |
| SCHEMBL18985582 | 0.78 | PTGS2 (0.58) | TDP1KDM4EMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL5790425 | 0.78 | ALDH1A1 (0.61) | TDP1KDM4EMAPTSMN1; SMN2ALDH1A1 | |
| Formamide SCHEMBL28278147 | 0.77 | L3MBTL1 (0.45) | KDM4EMAPTSMN1; SMN2ALDH1A1HTT | |
| Urea SCHEMBL11794762 | 0.76 | ALDH1A1 (0.57) | TDP1KDM4EMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL11610034 | 0.75 | ALDH1A1 (0.67) | TDP1KDM4EMAPTSMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105934521-B | Methods for detecting and treating leukemia responsive to DOT1L inhibition | 纪念斯隆-凯特琳癌症中心 | 2020-06-30 | — | — | CN | disclosed |