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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | FDPS | P14324 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | APAF1 | O14727 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL479201 | 0.80 | FDPS (0.44) | SMN1; SMN2LMNAHTTMAPTFDPS | |
| Toluene SCHEMBL14859755 | 0.80 | LMNA (0.41) | SMN1; SMN2LMNAHTTMAPTALDH1A1 | |
| Sulfuric Acid SCHEMBL28623480 | 0.80 | SMN1; SMN2 (0.46) | SMN1; SMN2LMNAHTTMAPTFDPS | |
| Sulfuric Acid SCHEMBL4443958 | 0.77 | FDPS (0.42) | SMN1; SMN2LMNAHTTMAPTFDPS | |
| Sulfuric Acid SCHEMBL2325415 | 0.77 | SMN1; SMN2 (0.46) | SMN1; SMN2LMNAHTTMAPTFDPS | |
| SCHEMBL1078425 | 0.76 | FDPS (0.41) | SMN1; SMN2LMNAHTTMAPTFDPS | |
| SCHEMBL3293331 | 0.76 | SMN1; SMN2 (0.36) | SMN1; SMN2LMNAHTTMAPTALDH1A1 | |
| Sulfuric Acid SCHEMBL1828230 | 0.75 | SMN1; SMN2 (0.44) | SMN1; SMN2LMNAHTTMAPTFDPS | |
| SCHEMBL411942 | 0.75 | SMN1; SMN2 (0.44) | SMN1; SMN2LMNAHTTMAPTFDPS | |
| SCHEMBL295578 | 0.75 | SMN1; SMN2 (0.44) | SMN1; SMN2LMNAHTTMAPTFDPS |
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 |
|---|---|---|---|---|---|---|---|
| US-20100270211-A1 | DESULFURIZATION AND DENITROGENATION WITH IONIC LIQUIDS AND METAL ION SYSTEMS | SAUDI ARABIAN OIL COMPANY (SA) | 2010-10-28 | — | — | US | disclosed |