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 | 5/20 | 0.55 |
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.55 |
| ▸ | CA4 known ✓ | P22748 | 4/20 | 0.55 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.55 |
| ▸ | CA6 | P23280 | 5/20 | 0.55 |
| ▸ | CA7 | P43166 | 5/20 | 0.55 |
| ▸ | CA9 | Q16790 | 5/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.55 |
| ▸ | CA5A | P35218 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | CA3 | P07451 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28920597 | 0.95 | CA12 (0.61) | CA12CA6CA7CA9CA14 | |
| Trientine SCHEMBL29003404 | 0.95 | CA12 (0.61) | CA12CA6CA7CA9CA14 | |
| SCHEMBL11171595 | 0.92 | CA12 (0.59) | CA12CA6CA7CA9CA14 | |
| SCHEMBL10336116 | 0.92 | CA12 (0.59) | CA12CA6CA7CA9CA14 | |
| SCHEMBL3971374 | 0.84 | CA12 (0.54) | CA12CA6CA7CA9CA14 | |
| Thiourea SCHEMBL3345993 | 0.81 | CA12 (0.67) | CA12CA6CA7CA9CA14 | |
| SCHEMBL3360351 | 0.78 | CA12 (0.62) | CA12CA6CA7CA9CA14 | |
| SCHEMBL10768104 | 0.78 | ALOX15 (0.73) | CA12CA6CA7CA9CA14 | |
| SCHEMBL2228858 | 0.78 | ALOX15 (0.73) | CA12CA6CA7CA9CA14 | |
| SCHEMBL5823466 | 0.78 | ALOX15 (0.73) | CA12CA6CA7CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1302493-B1 | Polydithiocarbamate resin | AKZO NOBEL NV (NL) | 2009-07-29 | — | — | EP | disclosed |
| US-7030205-B2 | Polydithiocarbamate resin | NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) | 2006-04-18 | — | — | US | disclosed |
| EP-1302493-A2 | Polydithiocarbamate resin | National Starch and Chemical Investment Holding Corporation (US) | 2003-04-16 | — | — | EP | disclosed |