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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA3 | P07451 | 1/20 | 0.56 |
| ▸ | CA6 | P23280 | 1/20 | 0.56 |
| ▸ | CA5A | P35218 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.56 |
| ▸ | NT5E | P21589 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29991938 | 1.00 | GAA (0.62) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL34 | 1.00 | GAA (0.62) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL5068661 | 1.00 | GAA (0.62) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| P-Xylene SCHEMBL8660591 | 1.00 | GAA (0.62) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL31313 | 1.00 | GAA (0.62) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL11432043 | 1.00 | GAA (0.62) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL1594407 | 0.97 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| Water SCHEMBL214962 | 0.97 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL1345322 | 0.97 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL22802539 | 0.97 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2440549-A1 | 2, 3-DIHYDRO-1H-INDENE COMPOUNDS AND THEIR USE TO TREAT CANCER | AstraZeneca AB (SE) | 2012-04-18 | — | — | EP | disclosed |