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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 known ✓ | P52333 | 6/20 | 0.65 |
| ▸ | JAK2 | O60674 | 18/20 | 0.67 |
| ▸ | HDAC1 | Q13547 | 11/20 | 0.67 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.61 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.61 |
| ▸ | NCOR1 | O75376 | 2/20 | 0.61 |
| ▸ | JAK1 | P23458 | 2/20 | 0.61 |
| ▸ | TYK2 | P29597 | 2/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.61 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.61 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.50 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.50 |
| ▸ | IKBKB | O14920 | 1/20 | 0.50 |
| ▸ | CHUK | O15111 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3956574 | 0.94 | JAK2 (0.75) | JAK2HDAC1JAK3HDAC6HDAC3 | |
| SCHEMBL3955502 | 0.83 | JAK2 (0.74) | JAK2HDAC1JAK3HDAC6HDAC3 | |
| SCHEMBL4383495 | 0.82 | JAK2 (0.69) | JAK2HDAC1JAK3HDAC6HDAC3 | |
| SCHEMBL3963198 | 0.82 | JAK2 (0.83) | JAK2HDAC1JAK3HDAC6HDAC3 | |
| Hydrochloric Acid SCHEMBL3955436 | 0.81 | JAK2 (0.82) | JAK2HDAC1JAK3HDAC6HDAC3 | |
| SCHEMBL3955468 | 0.81 | JAK2 (0.82) | JAK2HDAC1JAK3HDAC6HDAC3 | |
| SCHEMBL13906557 | 0.81 | JAK2 (0.75) | JAK2HDAC1JAK3HDAC6HDAC3 | |
| SCHEMBL3955474 | 0.80 | JAK2 (0.79) | JAK2HDAC1JAK3HDAC6HDAC3 | |
| SCHEMBL13906558 | 0.80 | JAK2 (0.73) | JAK2HDAC1JAK3HDAC6HDAC3 | |
| SCHEMBL3957543 | 0.80 | JAK2 (1.00) | JAK2HDAC1JAK3HDAC6HDAC3 |
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-2009029998-A1 | RETROMETABOLIC COMPOUNDS | CYTOPIA RESEARCH PTY LTD (AU) | 2009-03-12 | — | — | WO | disclosed |