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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.44 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.44 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 6/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.59 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 6/20 | 0.47 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CASP3 | P42574 | 2/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9155564 | 1.00 | MEN1 (0.59) | MEN1KMT2ACYP1B1CYP1A1RAB9A | |
| SCHEMBL1741555 | 0.91 | CYP1B1 (0.61) | MEN1KMT2ACYP1B1CYP1A1RAB9A | |
| SCHEMBL3501087 | 0.81 | CA12 (0.64) | MEN1KMT2ACYP1B1CYP1A1RAB9A | |
| SCHEMBL5351043 | 0.81 | MEN1 (0.84) | MEN1KMT2ACYP1B1CYP1A1RAB9A | |
| SCHEMBL5353261 | 0.81 | MEN1 (0.84) | MEN1KMT2ACYP1B1CYP1A1RAB9A | |
| SCHEMBL218141 | 0.75 | TDP1 (0.52) | MEN1KMT2ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL1916324 | 0.75 | TDP1 (0.52) | MEN1KMT2ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL27918619 | 0.75 | MEN1 (0.73) | MEN1KMT2ACYP1B1CYP1A1RAB9A | |
| SCHEMBL27918752 | 0.75 | MEN1 (0.73) | MEN1KMT2ACYP1B1CYP1A1RAB9A | |
| SCHEMBL2777355 | 0.74 | MEN1 (0.72) | MEN1KMT2ACYP1B1CYP1A1RAB9A |
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-0482593-B1 | Polymer scale preventive agent, polymerization vessel for preventing polymer scale deposition, and process of producing polymer using said vessel | SHINETSU CHEMICAL CO (JP) | 1995-01-11 | — | — | EP | disclosed |
| US-5364466-A | Polymer scale preventive agent, polymerization vessel effective in preventing polymer scale deposition, and process of producing polymer using said vessel | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1994-11-15 | — | — | US | disclosed |
| US-5302639-A | Mixtures of nitrogen containing organic compound, anionic compound and a vinylpyrrolidone polymer | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1994-04-12 | — | — | US | disclosed |
| EP-0482593-A1 | Polymer scale preventive agent, polymerization vessel for preventing polymer scale deposition, and process of producing polymer using said vessel | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1992-04-29 | — | — | EP | disclosed |