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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.38 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 5/20 | 0.33 |
| ▸ | CES1 | P23141 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.30 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12274283 | 0.93 | TSHR (0.46) | TSHRLMNATHRBCA1CES2 | |
| SCHEMBL29973212 | 0.93 | TSHR (0.46) | TSHRLMNATHRBCA1CES2 | |
| SCHEMBL27616519 | 0.93 | TSHR (0.46) | TSHRLMNATHRBCA1CES2 | |
| SCHEMBL74117 | 0.93 | — | — | |
| SCHEMBL16432 | 0.93 | TSHR (0.46) | TSHRLMNATHRBCA1CES2 | |
| SCHEMBL29398848 | 0.93 | TSHR (0.46) | TSHRLMNATHRBCA1CES2 | |
| Potassium Ion SCHEMBL25313540 | 0.89 | TSHR (0.43) | TSHRLMNATHRBCA1CES2 | |
| SCHEMBL10557096 | 0.89 | TSHR (0.43) | TSHRLMNATHRBCA1CES2 | |
| Hydrochloric Acid SCHEMBL8607757 | 0.89 | TSHR (0.43) | TSHRLMNATHRBCES2CES1 | |
| SCHEMBL848566 | 0.89 | TSHR (0.43) | TSHRLMNATHRBCA1CES2 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4549010-A | Bioerodible poly(ortho ester) thermoplastic elastomer from diketene diacetal | MERCK & CO., INC. (US) | 1985-10-22 | — | — | US | disclosed |
| US-4282201-A | Pharmaceutical comprising drug and polymer | ALZA CORPORATION (US) | 1981-08-04 | — | — | US | disclosed |
| US-4259102-A | Composition comprising useful agent such as fertilizers, housed in heterocyclic polymer | ALZA CORPORATION (US) | 1981-03-31 | — | — | US | disclosed |
| US-4246397-A | Polymers comprising heterocyclic system | ALZA CORPORATION (US) | 1981-01-20 | — | — | US | disclosed |
| US-4186185-A | Compositions comprising arylene substituted poly(orthoesters) containing useful agents | ALZA CORPORATION (US) | 1980-01-29 | — | — | US | disclosed |
| US-4180646-A | BIOERODABLE SUSTAINED RELEASE COTAINGS | ALZA CORPORATION (US) | 1979-12-25 | — | — | US | disclosed |
| US-4155992-A | SUSTAINED RELEASE | ALZA CORPORATION (US) | 1979-05-22 | — | — | US | disclosed |
| US-4155740-A | SUSTAINED RELEASE | ALZA CORPORATION (US) | 1979-05-22 | — | — | US | disclosed |
| US-4138344-A | Erodible agent releasing device comprising poly(orthoesters) and poly(orthocarbonates) | ALZA CORPORATION (US) | 1979-02-06 | — | — | US | disclosed |
| US-4136252-A | POLYETHERS, SUSTAINED RELEASE COATINGS | ALZA CORPORATION (US) | 1979-01-23 | — | — | US | disclosed |
| US-4131648-A | POLYMERIC MATERIALS | ALZA CORPORATION (US) | 1978-12-26 | — | — | US | disclosed |
| US-4119579-A | Polymeric orthoesters | ALZA CORPORATION (US) | 1978-10-10 | — | — | US | disclosed |
| US-4093709-A | Drug delivery devices manufactured from poly(orthoesters) and poly(orthocarbonates) | ALZA CORPORATION (US) | 1978-06-06 | — | — | US | disclosed |
| US-4079038-A | HAVING RECURRING DIOXYCARBON MOIETIES | ALZA CORPORATION (US) | 1978-03-14 | — | — | US | disclosed |
| US-4070347-A | Poly(orthoester) co- and homopolymers and poly(orthocarbonate) co- and homopolymers having carbonyloxy functionality | ALZA CORPORATION (US) | 1978-01-24 | — | — | US | disclosed |
| US-4066747-A | Polymeric orthoesters housing beneficial drug for controlled release therefrom | ALZA CORPORATION (US) | 1978-01-03 | — | — | US | disclosed |