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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.36 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.35 |
| ▸ | C5AR1 | P21730 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.34 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.34 |
| ▸ | PER2 | O15055 | 1/20 | 0.33 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.33 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL3282864 | 0.77 | ALDH1A1 (0.40) | C5AR1ALDH1A1ESR1LMNATSHR | |
| SCHEMBL6249561 | 0.75 | ESR1 (0.41) | C5AR1ALDH1A1ESR1LMNACA12 | |
| O-Xylene SCHEMBL3381232 | 0.74 | TSHR (0.59) | ALDH1A1LMNATDP1CA12CA2 | |
| SCHEMBL5853978 | 0.73 | TEAD1 (0.49) | C5AR1ALDH1A1ESR1TDP1CA12 | |
| O-Xylene SCHEMBL28004462 | 0.69 | TSHR (0.59) | ALDH1A1LMNATDP1CA12CA2 | |
| SCHEMBL2760284 | 0.68 | KMT2A (0.51) | C5AR1ALDH1A1TSHRPER2CRY1 | |
| Sulfuric Acid SCHEMBL28036340 | 0.68 | ALDH1A1 (0.47) | C5AR1ALDH1A1ESR1LMNATDP1 | |
| SCHEMBL16034284 | 0.67 | TDP1 (0.45) | ALDH1A1ESR1LMNATDP1CA12 | |
| SCHEMBL57931 | 0.67 | TDP1 (0.45) | ALDH1A1ESR1LMNATDP1CA12 | |
| SCHEMBL31513471 | 0.67 | TDP1 (0.45) | ALDH1A1ESR1LMNATDP1CA12 |
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-1257593-B1 | POLYAMIDE CHAIN EXTENSION PROCESS AND FUNCTIONALIZED POLYAMIDES PRODUCED THEREBY | INVISTA TECH SARL (US) | 2005-07-06 | — | — | EP | disclosed |
| EP-1257593-A1 | POLYAMIDE CHAIN EXTENSION PROCESS AND FUNCTIONALIZED POLYAMIDES PRODUCED THEREBY | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2002-11-20 | — | — | EP | disclosed |
| US-20020007041-A1 | Polyamide chain extension process and functionalized polyamides produced thereby | INVISTA NORTH AMERICA S.A.R.L. | 2002-01-17 | — | — | US | disclosed |
| WO-2001053383-A1 | POLYAMIDE CHAIN EXTENSION PROCESS AND FUNCTIONALIZED POLYAMIDES PRODUCED THEREBY | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2001-07-26 | — | — | WO | disclosed |