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 | 0.38 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | WDR5 | P61964 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3146455 | 0.81 | HSD17B10 (0.59) | CYP2A6ABCG2CYP1A2KMT2AKDM4E | |
| SCHEMBL6609007 | 0.81 | ALDH1A1 (0.54) | CYP2A6ABCG2CYP1A2KMT2AKDM4E | |
| SCHEMBL376426 | 0.79 | WDR5 (0.48) | CYP2A6ABCG2CYP1A2KMT2AKDM4E | |
| SCHEMBL29589377 | 0.79 | ABCG2 (0.53) | ABCG2CYP1A2KMT2AKDM4EMEN1 | |
| SCHEMBL2592116 | 0.79 | ABCG2 (0.53) | ABCG2CYP1A2KMT2AKDM4EMEN1 | |
| SCHEMBL2424747 | 0.79 | NCEH1 (0.51) | CYP2A6ABCG2CYP1A2KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL11726958 | 0.79 | KMT2A (0.57) | CYP2A6ABCG2CYP1A2KMT2AKDM4E | |
| SCHEMBL8879750 | 0.78 | TSHR (0.48) | CYP2A6ABCG2CYP1A2KMT2AKDM4E | |
| SCHEMBL4958880 | 0.78 | CYP2A6 (0.48) | CYP2A6ABCG2CYP1A2KMT2AKDM4E | |
| SCHEMBL5047194 | 0.78 | HSD17B10 (0.42) | CYP2A6ABCG2CYP1A2KMT2AKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0258636-B1 | Quickly crystallizing polyester compositions | MONTEFIBRE SPA (IT) | 1993-11-24 | — | — | EP | disclosed |
| US-4908428-A | Polyester thermoplastic resin and preformed nucleating agent comprising polymer base salts or salts of alkali or alkaline earth metals | MONTEFIBRE S.P.A. (IT) | 1990-03-13 | — | — | US | disclosed |
| EP-0258636-A2 | Quickly crystallizing polyester compositions | Montefibre S.p.A. (IT) | 1988-03-09 | — | — | EP | disclosed |