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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.42 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.40 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.40 |
| ▸ | DUSP5 | Q16690 | 3/20 | 0.53 |
| ▸ | APP | P05067 | 2/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6846267 | 1.00 | DUSP5 (0.53) | DUSP5APPPTPN1THRBHTR6 | |
| SCHEMBL30940025 | 1.00 | DUSP5 (0.53) | DUSP5APPPTPN1THRBHTR6 | |
| Potassium Ion SCHEMBL9556355 | 0.96 | DUSP5 (0.49) | DUSP5APPPTPN1THRBHTR6 | |
| Naphthalene Trisulfonate SCHEMBL29381206 | 0.85 | SIRT1 (0.47) | DUSP5APPPTPN1THRBLMNA | |
| Naphthalene Trisulfonate SCHEMBL306175 | 0.85 | SIRT1 (0.47) | DUSP5APPPTPN1THRBLMNA | |
| Naphthalene Trisulfonate SCHEMBL29050218 | 0.83 | SIRT1 (0.46) | DUSP5APPPTPN1THRBLMNA | |
| SCHEMBL5292700 | 0.83 | DUSP5 (0.46) | DUSP5APPPTPN1THRBLMNA | |
| Naphthalene Trisulfonate SCHEMBL29496604 | 0.83 | SIRT1 (0.46) | DUSP5APPPTPN1THRBLMNA | |
| SCHEMBL31634560 | 0.81 | DUSP5 (0.57) | DUSP5PTPN1THRBHTR6LMNA | |
| SCHEMBL29723860 | 0.81 | DUSP5 (0.57) | DUSP5PTPN1THRBHTR6LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0820284-A1 | BIOLOGICALLY ACTIVE UREIDO DERIVATIVES USEFUL IN THE TREATMENT OF MULTIPLE SCLEROSIS | PHARMACIA & UPJOHN S.p.A. (IT) | 1998-01-28 | — | — | EP | disclosed |
| WO-1997028796-A1 | BIOLOGICALLY ACTIVE UREIDO DERIVATIVES USEFUL IN THE TREATMENT OF MULTIPLE SCLEROSIS | PHARMACIA & UPJOHN S.P.A. (IT) | 1997-08-14 | — | — | WO | disclosed |