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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | PDE4A | P27815 | 1/20 | 0.52 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.52 |
| ▸ | TTPA | P49638 | 3/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.42 |
| ▸ | GSTO1 | P78417 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | PSEN1 | P49768 | 5/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 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 | |
|---|---|---|---|---|
| SCHEMBL9094867 | 0.93 | MEN1 (0.52) | MEN1KMT2APDE4APDE3ATTPA | |
| SCHEMBL10350245 | 0.88 | MEN1 (0.64) | MEN1KMT2APDE4APDE3ATTPA | |
| Bromide SCHEMBL9095462 | 0.87 | MEN1 (0.62) | MEN1KMT2APDE4APDE3ATTPA | |
| SCHEMBL7838544 | 0.80 | MEN1 (0.50) | MEN1KMT2APDE4APDE3ATTPA | |
| SCHEMBL9096216 | 0.78 | NR1I2 (0.48) | MEN1KMT2ATTPAALOX5NR1I2 | |
| SCHEMBL9096706 | 0.78 | NR1I2 (0.48) | MEN1KMT2ATTPAALOX5NR1I2 | |
| SCHEMBL9098891 | 0.78 | NR1I2 (0.48) | MEN1KMT2ATTPAALOX5NR1I2 | |
| SCHEMBL8377650 | 0.76 | MEN1 (0.67) | MEN1KMT2APDE4APDE3ATTPA | |
| Bromide SCHEMBL9097243 | 0.76 | MEN1 (0.49) | MEN1KMT2APDE4APDE3ATTPA | |
| Hydrochloric Acid SCHEMBL9096958 | 0.76 | MEN1 (0.59) | MEN1KMT2APDE4APDE3ATTPA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5500444-A | FREE RADICAL SCAVENGERS; CYTOPROTECTIVE, ANTIINFLAMMATORY, AND ANTIISCHEMIC AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1996-03-19 | — | — | US | claimed |
| US-5500444-A | FREE RADICAL SCAVENGERS; CYTOPROTECTIVE, ANTIINFLAMMATORY, AND ANTIISCHEMIC AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1996-03-19 | — | — | US | disclosed |
| EP-0369874-B1 | Cardioprotective tocopherol analogs | MERRELL DOW PHARMA (US) | 1995-02-22 | — | — | EP | disclosed |