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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.40 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.40 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.40 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.36 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11226776 | 1.00 | CA1 (0.40) | CA1CA2CA12CA7CA9 | |
| Potassium Ion SCHEMBL10935064 | 0.97 | CA12 (0.40) | CA1CA2CA12CA7CA9 | |
| Potassium Ion SCHEMBL30367664 | 0.97 | CA12 (0.40) | CA1CA2CA12CA7CA9 | |
| Potassium Ion SCHEMBL4816016 | 0.97 | CA12 (0.40) | CA1CA2CA12CA7CA9 | |
| SCHEMBL2896479 | 0.87 | FOLH1 (0.47) | CA1CA2CA12CA7CA9 | |
| SCHEMBL5904162 | 0.87 | FOLH1 (0.47) | CA1CA2CA12CA7CA9 | |
| SCHEMBL11606839 | 0.87 | TSHR (0.43) | SMN1; SMN2TSHRALDH1A1MEN1CYP2C9 | |
| SCHEMBL5995942 | 0.87 | FOLH1 (0.47) | CA1CA2CA12CA7CA9 | |
| SCHEMBL6129097 | 0.87 | FOLH1 (0.47) | CA1CA2CA12CA7CA9 | |
| SCHEMBL11843138 | 0.87 | TSHR (0.43) | SMN1; SMN2TSHRALDH1A1MEN1CYP2C9 |
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 24 patents — showing the first 20. 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 |
| WO-1991001968-A1 | PHENYL-GLYCINE DERIVATIVES | CHINOIN GYÓGYSZER ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT (HU) | 1991-02-21 | — | — | WO | disclosed |
| EP-0132987-B1 | IMPROVEMENTS IN OR RELATING TO DEESTERIFICATION TO ACIDS | ELI LILLY AND COMPANY (US) | 1987-09-16 | — | — | EP | disclosed |
| US-4488994-A | Bis-esters of methanediol with penicillins and penicillanic acid 1,1-dioxide | PFIZER INC. (US) | 1984-12-18 | — | — | US | disclosed |
| US-4432903-A | Bis-esters of methanediol with penicillins and penicillanic acid 1,1-dioxide | PFIZER INC. (US) | 1984-02-21 | — | — | US | disclosed |
| US-4377524-A | Bis-esters of methanediol with penicillins and penicillanic acid 1,1-dioxide | PFIZER INC. (US) | 1983-03-22 | — | — | US | disclosed |
| US-4358588-A | 7-/D-ALPHA-AMINO/P-HYDROXYPHENYL/ACETAMIDO-3- CEPHEM-4-CARBOXYLIC ACID DERIVATIVES; EFFICIENCY | GIST-BROCADES N.V. (NL) | 1982-11-09 | — | — | US | disclosed |
| EP-0001133-B1 | PROCESS FOR THE PREPARATION OF 6- D-ALPHA-AMINO-(P-HYDROXYPHENYL)-ACETAMIDO PENICILLANIC ACID | GIST-BROCADES N.V. (NL) | 1982-01-20 | — | — | EP | disclosed |
| US-4244951-A | Bis-esters of methanediol with penicillins and penicillanic acid 1,1-dioxide | PFIZER INC. (US) | 1981-01-13 | — | — | US | disclosed |
| US-4128547-A | TERTIARY AMINE CATALYST | GIST-BROCADES N.V. (NL) | 1978-12-05 | — | — | US | disclosed |
| US-4115385-A | PENICILLINS | PFIZER INC. (US) | 1978-09-19 | — | — | US | disclosed |
| US-4105668-A | 6-AMINO-2,2-DIMETHYL-3-(1 -SUBSTITUTED TETRAZOL-5-YL)PENAM COMPOUND REACTED WITH HYDROGEN FLUORIDE | PFIZER INC. (US) | 1978-08-08 | — | — | US | disclosed |
| US-4066657-A | ANTIBACTERIAL AGENTS FOR ANIMAL FEED SUPPLEMENTS | PFIZER INC. (US) | 1978-01-03 | — | — | US | disclosed |
| US-4036846-A | ANTIBACTERIAL | PFIZER INC. (US) | 1977-07-19 | — | — | US | disclosed |
| US-4031077-A | Antibacterial 3-phosphono penams | PFIZER INC. (US) | 1977-06-21 | — | — | US | disclosed |
| US-4005075-A | Penicillins and their preparation | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1977-01-25 | — | — | US | disclosed |
| US-3994939-A | BACTERICIDES | PFIZER INC. (US) | 1976-11-30 | — | — | US | disclosed |
| US-3985741-A | Production of p-hydroxycephalexin | BRISTOL-MYERS COMPANY (US) | 1976-10-12 | — | — | US | disclosed |
| US-3945995-A | ANTIBIOTICS, PENICILLIN | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1976-03-23 | — | — | US | disclosed |