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 | 0.43 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.43 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.43 |
| ▸ | ESR2 known ✓ | Q92731 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | MIF | P14174 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 6/20 | 0.36 |
| ▸ | LMNA | P02545 | 5/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.36 |
| ▸ | MDM4 | O15151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL4826211 | 0.97 | CA12 (0.43) | CA12CA1CA2CA9CA7 | |
| Potassium Ion SCHEMBL31198116 | 0.97 | CA12 (0.43) | CA12CA1CA2CA9CA7 | |
| Potassium Ion SCHEMBL6129087 | 0.97 | CA12 (0.43) | CA12CA1CA2CA9CA7 | |
| SCHEMBL3987755 | 0.88 | FOLH1 (0.46) | CA12CA1CA2CA9CA7 | |
| SCHEMBL11607920 | 0.88 | MAPT (0.48) | MAPTLMNAMDM2MDM4KMT2A | |
| SCHEMBL3987754 | 0.88 | FOLH1 (0.46) | CA12CA1CA2CA9CA7 | |
| SCHEMBL9301307 | 0.88 | MAPT (0.48) | MAPTLMNAMDM2MDM4KMT2A | |
| SCHEMBL11226776 | 0.87 | CA1 (0.40) | CA12CA1CA2CA9CA7 | |
| SCHEMBL9302453 | 0.87 | CA1 (0.40) | CA12CA1CA2CA9CA7 | |
| Potassium Ion SCHEMBL29349588 | 0.86 | MAPT (0.48) | MAPTLMNAMDM2MDM4KMT2A |
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-0437566-B1 | PHENYL-GLYCINE DERIVATIVES | CHINOIN GYOGYSZER ES VEGYESZET (HU) | 1994-09-28 | — | — | EP | disclosed |
| US-5338868-A | Reacting glycine derivative with trifluoro methane sulfonic acid derivative at low temperature | CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYARA RT. (HU) | 1994-08-16 | — | — | US | disclosed |
| EP-0437566-A1 | PHENYL-GLYCINE DERIVATIVES. | CHINOIN GYOGYSZER ES VEGYESZET (HU) | 1991-07-24 | — | — | EP | disclosed |
| WO-1991001968-A1 | PHENYL-GLYCINE DERIVATIVES | CHINOIN GYÓGYSZER ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT (HU) | 1991-02-21 | — | — | WO | disclosed |