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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | STS | P08842 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7945443 | 0.88 | S1PR3 (0.49) | TSHRTDP1L3MBTL1S1PR3ESR1 | |
| SCHEMBL9476993 | 0.86 | GAA (0.38) | TSHRL3MBTL1S1PR3GAACYP3A4 | |
| SCHEMBL8908710 | 0.82 | GAA (0.35) | TSHRL3MBTL1S1PR3GAAALDH1A1 | |
| SCHEMBL1710245 | 0.82 | S1PR3 (0.38) | TSHRTDP1L3MBTL1S1PR3GAA | |
| SCHEMBL6684905 | 0.81 | LMNA (0.44) | TSHRTDP1L3MBTL1S1PR3GAA | |
| SCHEMBL7945499 | 0.81 | S1PR3 (0.56) | TSHRTDP1L3MBTL1S1PR3ESR1 | |
| SCHEMBL7944138 | 0.81 | S1PR3 (0.56) | TSHRTDP1L3MBTL1S1PR3ESR1 | |
| SCHEMBL7945440 | 0.73 | ESR1 (0.59) | TSHRESR1CYP3A4MAPK1LMNA | |
| SCHEMBL9133233 | 0.73 | S1PR3 (0.62) | TSHRTDP1L3MBTL1S1PR3GAA | |
| SCHEMBL6686080 | 0.73 | S1PR3 (0.35) | TSHRS1PR3GAAMAPK1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004078826-A1 | BIODEGRADABLE ALPHATIC POLYESTER IONOMERIC RESIN AND ITS PREPARING METHOD | HANYANG HAKWON CO., LTD. (KR) | 2004-09-16 | — | — | WO | claimed |
| WO-2004078826-A1 | BIODEGRADABLE ALPHATIC POLYESTER IONOMERIC RESIN AND ITS PREPARING METHOD | HANYANG HAKWON CO., LTD. (KR) | 2004-09-16 | — | — | WO | disclosed |