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 | |
|---|---|---|---|---|
| ▸ | ABL1 known ✓ | P00519 | 8/20 | 0.42 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.36 |
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 7/20 | 0.42 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | TYK2 | P29597 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15533761 | 0.92 | ABL1 (0.44) | ABL1BCRSYKTRPV1TYK2 | |
| SCHEMBL15534503 | 0.91 | ABL1 (0.48) | ABL1BCRTRPV1TYK2CLK4 | |
| Sulfuric Acid SCHEMBL15533134 | 0.90 | ABL1 (0.47) | ABL1BCRTRPV1TYK2KDM4E | |
| SCHEMBL15534101 | 0.87 | TRPV1 (0.47) | ABL1BCRTRPV1KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL15533549 | 0.86 | TRPV1 (0.47) | ABL1BCRTRPV1KDM4EMAPT | |
| Bromide SCHEMBL15534396 | 0.86 | TRPV1 (0.47) | ABL1BCRTRPV1KDM4EMAPT | |
| SCHEMBL15534205 | 0.86 | ABL1 (0.41) | ABL1BCRSYKTRPV1TYK2 | |
| SCHEMBL15534505 | 0.80 | ABL1 (0.46) | ABL1BCRSYKTRPV1TYK2 | |
| SCHEMBL15534290 | 0.80 | ABL1 (0.46) | ABL1BCRSYKTRPV1TYK2 | |
| SCHEMBL15533228 | 0.78 | ABL1 (0.44) | ABL1BCRSYKTRPV1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013175415-A1 | SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF | Piramal Enterprises Limited (IN) | 2013-11-28 | — | — | WO | claimed |
| WO-2013175415-A1 | SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF | Piramal Enterprises Limited (IN) | 2013-11-28 | — | — | WO | disclosed |