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 | 1/20 | 0.46 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.46 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.46 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.43 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.43 |
| ▸ | P2RY2 known ✓ | P41231 | 1/20 | 0.43 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.43 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.43 |
| ▸ | P2RY6 known ✓ | Q15077 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | IDH1 | O75874 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL11513840 | 0.98 | MAPT (0.53) | MAPTRAB9ASMN1; SMN2NPC1MEN1 | |
| SCHEMBL11514991 | 0.91 | MAPT (0.56) | MAPTRAB9ASMN1; SMN2NPC1MEN1 | |
| SCHEMBL11593391 | 0.91 | TIMP3 (0.53) | MAPTRAB9ASMN1; SMN2NPC1MEN1 | |
| SCHEMBL11515000 | 0.90 | MAPT (0.45) | MAPTRAB9ASMN1; SMN2NPC1MEN1 | |
| SCHEMBL11512686 | 0.89 | KMT2A (0.59) | MAPTRAB9ASMN1; SMN2NPC1MEN1 | |
| SCHEMBL11513843 | 0.88 | MAPT (0.53) | MAPTRAB9ASMN1; SMN2NPC1MEN1 | |
| SCHEMBL11513523 | 0.85 | MAPT (0.53) | MAPTMEN1KMT2ALMNAIDH1 | |
| SCHEMBL11514123 | 0.85 | MAPT (0.53) | MAPTMEN1KMT2ALMNAIDH1 | |
| SCHEMBL11512361 | 0.84 | MEN1 (0.55) | MAPTRAB9ASMN1; SMN2NPC1MEN1 | |
| SCHEMBL11513850 | 0.82 | ALDH1A1 (0.46) | MAPTRAB9ASMN1; SMN2NPC1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4147801-A | UREYLENEBIS/METHYL-PHENYLENE/UREYLENE//DI-1,3,6-NAPHTHALENE TRISULFONIC ACID | AMERICAN CYANAMID COMPANY (US) | 1979-04-03 | — | — | US | disclosed |
| US-4146640-A | SULFONIC ACID AND SECONDARY AMIDE FUNCTIONAL GROUPS | AMERICAN CYANAMID COMPANY (US) | 1979-03-27 | — | — | US | disclosed |
| US-4087548-A | NAPHTHALENE TRISULFONIC ACIDS | AMERICAN CYANAMID COMPANY (US) | 1978-05-02 | — | — | US | disclosed |