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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.61 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 2/20 | 0.56 |
| ▸ | MMP13 | P45452 | 2/20 | 0.51 |
| ▸ | PPARA | Q07869 | 3/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 5/20 | 0.48 |
| ▸ | TACR1 | P25103 | 2/20 | 0.48 |
| ▸ | CTSL | P07711 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4973400 | 0.88 | CASP1 (0.62) | CA2CASP1MMP13PPARAPPARG | |
| SCHEMBL6487973 | 0.88 | CASP1 (0.62) | CA2CASP1MMP13PPARAPPARG | |
| SCHEMBL1541597 | 0.88 | CASP1 (0.62) | CA2CASP1MMP13PPARAPPARG | |
| SCHEMBL7810073 | 0.87 | CASP1 (0.61) | CA2CASP1MMP13PPARAPPARG | |
| SCHEMBL7810068 | 0.87 | CASP1 (0.61) | CA2CASP1MMP13PPARAPPARG | |
| SCHEMBL4968729 | 0.86 | KYNU (0.58) | CA2CASP1MMP13PPARAPPARG | |
| SCHEMBL6576404 | 0.86 | KYNU (0.58) | CA2CASP1MMP13PPARAPPARG | |
| SCHEMBL7564546 | 0.86 | KYNU (0.58) | CA2CASP1MMP13PPARAPPARG | |
| SCHEMBL7495758 | 0.84 | CA2 (0.58) | CA2CASP1MMP13PPARAPPARG | |
| SCHEMBL5227527 | 0.84 | CA2 (0.58) | CA2CASP1MMP13PPARAPPARG |
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 |
|---|---|---|---|---|---|---|---|
| US-6320072-B1 | SALTING OUT N-PROTECTED-S-PHENYLCYSTEINE IN FORM OF BASE SALT IN PRESENCE OF WATER | KANEKA CORPORATION (JP) | 2001-11-20 | — | — | US | disclosed |
| EP-1067119-A1 | METHOD FOR ISOLATION OF N-PROTECTED S-PHENYLCYSTEINE | KANEKA CORPORATION (JP) | 2001-01-10 | — | — | EP | disclosed |