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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7924971 | 1.00 | CES2 (0.50) | CES2CES1RECQLCYP2D6MAPK1 | |
| Benzil SCHEMBL2093919 | 0.86 | CES2 (0.68) | CES2CES1RECQLCYP2D6MAPK1 | |
| SCHEMBL5322666 | 0.85 | CES2 (0.50) | CES2CES1RECQLCYP2D6MAPK1 | |
| SCHEMBL2353187 | 0.83 | SMN1; SMN2 (0.47) | CES2CES1RECQLCYP2D6MAPK1 | |
| SCHEMBL10814173 | 0.81 | SMN1; SMN2 (0.48) | CES2CES1RECQLCYP2D6MAPK1 | |
| Acetophenone SCHEMBL9253880 | 0.81 | RECQL (0.54) | CES2CES1RECQLCYP2D6MAPK1 | |
| SCHEMBL108031 | 0.80 | CES2 (0.60) | CES2CES1ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL1049892 | 0.80 | CES2 (0.60) | CES2CES1ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL449946 | 0.80 | CES2 (0.60) | CES2CES1ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL28138711 | 0.80 | CES2 (0.60) | CES2CES1ALDH1A1LMNASMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20010006759-A1 | Polybutadiene containing epoxy group | CHARLES R. SHIPLEY JR. | 2001-07-05 | — | — | US | disclosed |
| EP-0044115-B2 | THERMOSETTING COATING COMPOSITION CONTAINING A BLOCKED ACID CATALYST | AKZO N.V. (NL) | 1987-06-03 | — | — | EP | disclosed |
| EP-0044115-B1 | THERMOSETTING COATING COMPOSITION CONTAINING A BLOCKED ACID CATALYST | AKZO N.V. (NL) | 1984-10-10 | — | — | EP | disclosed |
| US-4351935-A | FOR CURING AN AMINO RESIN | AKZO N.V. (NL) | 1982-09-28 | — | — | US | disclosed |
| EP-0044115-A1 | Thermosetting coating composition containing a blocked acid catalyst | AKZO N.V. (NL) | 1982-01-20 | — | — | EP | disclosed |