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 | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | GHSR | Q92847 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ALB | P02768 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11787716 | 1.00 | MCHR1 (0.44) | MCHR1ALDH1A1GHSRMEN1KMT2A | |
| SCHEMBL8724937 | 0.90 | MCHR1 (0.46) | MCHR1ALDH1A1MEN1KMT2AL3MBTL1 | |
| SCHEMBL11016054 | 0.90 | MCHR1 (0.46) | MCHR1ALDH1A1MEN1KMT2AL3MBTL1 | |
| SCHEMBL11466361 | 0.87 | TSHR (0.48) | GHSRTDP1TSHRS1PR3SMN1; SMN2 | |
| Dodecane SCHEMBL7126605 | 0.86 | MCHR1 (0.56) | MCHR1ALDH1A1L3MBTL1CYP2C9LMNA | |
| Octane SCHEMBL8462698 | 0.86 | MCHR1 (0.56) | MCHR1ALDH1A1L3MBTL1CYP2C9LMNA | |
| Nonane SCHEMBL28716314 | 0.86 | MCHR1 (0.56) | MCHR1ALDH1A1L3MBTL1CYP2C9LMNA | |
| Octane SCHEMBL356741 | 0.86 | MCHR1 (0.56) | MCHR1ALDH1A1L3MBTL1CYP2C9LMNA | |
| Decane SCHEMBL17004268 | 0.86 | MCHR1 (0.56) | MCHR1ALDH1A1L3MBTL1CYP2C9LMNA | |
| Heptane SCHEMBL8501523 | 0.86 | MCHR1 (0.56) | MCHR1ALDH1A1L3MBTL1CYP2C9LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0675117-A1 | Bromopropargyl quaternary ammonium compounds having antimicrobial activity | ROHM AND HAAS COMPANY (US) | 1995-10-04 | — | — | EP | claimed |
| US-5411933-A | Bromopropargyl quarternary ammonium compounds having antimicrobial activity | ROHM & HAAS COMPANY (US) | 1995-05-02 | — | — | US | claimed |
| US-6613340-B2 | Substantive UV absorbing organic-soluble quaternary salts of cinnamidoalkylamine are described. Hair, skin and fabric care compositions containing the compounds of formula I. | GALAXY SURFACTANTS LTD. (IN) | 2003-09-02 | — | — | US | disclosed |
| US-6008244-A | APPLYING ONTO OR INTO THE MARINE STRUCTURE TO INHIBIT GROWTH SUCH AS SOFT CORALS, TUNICATES, HYDROIDS, SPONGES, ANEMONES, BARNACLES, TUBEWORMS AND MOLLUSCS | ROHM AND HAAS COMPANY (US) | 1999-12-28 | — | — | US | disclosed |
| EP-0835604-A1 | Halopropargyl compounds as marine antifouling agents | ROHM AND HAAS COMPANY (US) | 1998-04-15 | — | — | EP | disclosed |