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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 15/20 | 1.00 |
| ▸ | CA1 known ✓ | P00915 | 14/20 | 1.00 |
| ▸ | CA2 known ✓ | P00918 | 13/20 | 1.00 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 15/20 | 1.00 |
| ▸ | MGLL | Q99685 | 1/20 | 0.55 |
| ▸ | EHMT2 | Q96KQ7 | 2/20 | 0.54 |
| ▸ | EHMT1 | Q9H9B1 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.46 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4440849 | 1.00 | CA12 (1.00) | CA12CA9CA1CA2MGLL | |
| Dihexylcarbamodithioate Sodium Salt SCHEMBL5744516 | 1.00 | CA12 (1.00) | CA12CA9CA1CA2MGLL | |
| SCHEMBL11610877 | 1.00 | CA12 (1.00) | CA12CA9CA1CA2MGLL | |
| SCHEMBL9356067 | 1.00 | CA12 (1.00) | CA12CA9CA1CA2MGLL | |
| SCHEMBL6414649 | 1.00 | CA12 (1.00) | CA12CA9CA1CA2MGLL | |
| SCHEMBL8814695 | 1.00 | CA12 (1.00) | CA12CA9CA1CA2MGLL | |
| SCHEMBL9356073 | 1.00 | CA12 (1.00) | CA12CA9CA1CA2MGLL | |
| SCHEMBL15158003 | 1.00 | CA12 (1.00) | CA12CA9CA1CA2MGLL | |
| SCHEMBL701003 | 0.98 | CA12 (0.95) | CA12CA9CA1CA2MGLL | |
| SCHEMBL8812737 | 0.95 | CA12 (0.91) | CA12CA9CA1CA2MGLL |
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-1112249-B1 | DITHIOCARBAMYL DERIVATIVES USEFUL AS LUBRICANT ADDITIVES | UNIROYAL CHEM CO INC (US) | 2003-01-02 | — | — | EP | disclosed |
| US-6117826-A | ANTI-WEAR PROPERTIES; REDUCING FRICTION; ANTIOXIDANT | UNIROYAL CHEMICAL COMPANY, INC. (US) | 2000-09-12 | — | — | US | disclosed |
| US-5872286-A | ASHLESS ANTI-FATIGUE, ANTI-WEAR AND EXTREME PRESSURE ADDITIVES FOR LUBRICATING OILS | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1999-02-16 | — | — | US | disclosed |
| US-5789357-A | LUBRICANTS FOR EXTREME PRESSURE LUBRICANTS | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1998-08-04 | — | — | US | disclosed |