Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | ADK | P55263 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL595001 | 0.97 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2NISCHMTORADK | |
| SCHEMBL600691 | 0.94 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2NISCHMTORADK | |
| SCHEMBL3453958 | 0.80 | NISCH (0.48) | ALDH1A1SMN1; SMN2NISCHMTORADK | |
| SCHEMBL1370825 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28273033 | 0.69 | — | — | |
| SCHEMBL167 | 0.65 | — | — | |
| SCHEMBL9145211 | 0.65 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2NISCHMTORADK | |
| SCHEMBL9244226 | 0.65 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2NISCHMTORADK | |
| SCHEMBL16649175 | 0.63 | ALDH1A1 (0.80) | ALDH1A1SMN1; SMN2NISCHMTORADK | |
| SCHEMBL81650 | 0.63 | NISCH (0.59) | ALDH1A1SMN1; SMN2NISCHMTORADK |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3651748-A1 | ANTIMICROBIAL COMPOSITIONS EFFECTIVE AGAINST BACTERIA AND FUNGUS | Termir, Inc. (US) | 2020-05-20 | — | — | EP | disclosed |
| WO-2019014424-A1 | ANTIMICROBIAL COMPOSITIONS EFFECTIVE AGAINST BACTERIA AND FUNGUS | TERMIR, INC. (US) | 2019-01-17 | — | — | WO | disclosed |
| WO-2010141310-A1 | POROUS CRYSTALLINE MATERIALS, THEIR SYNTHESIS AND USE | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2010-12-09 | — | — | WO | disclosed |
| WO-2007126929-A2 | HYBRID POLYMER LIGHT-EMITTING DEVICES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2007-11-08 | — | — | WO | disclosed |