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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.40 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 5/20 | 0.34 |
| ▸ | CES1 | P23141 | 5/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30227097 | 0.79 | ALDH1A1 (0.41) | ALDH1A1CA2ATMHPGDTSHR | |
| SCHEMBL5843703 | 0.73 | NAAA (0.41) | CES2TSHRHCAR2 | |
| SCHEMBL10932795 | 0.72 | ALDH1A1 (0.39) | CA1ALDH1A1ATMCES2CES1 | |
| SCHEMBL31195333 | 0.71 | TSHR (0.40) | CA1ALDH1A1CA2ATMCES1 | |
| SCHEMBL434225 | 0.71 | — | — | |
| SCHEMBL10935669 | 0.71 | ALDH1A1 (0.42) | CA1ALDH1A1ATMCES2CES1 | |
| SCHEMBL10932815 | 0.71 | CA1 (0.39) | CA1ALDH1A1CA2ATMCES2 | |
| SCHEMBL939685 | 0.71 | ALDH1A1 (0.34) | CA1ALDH1A1ATMCES2CES1 | |
| SCHEMBL2519983 | 0.69 | CA2 (0.33) | CA1ALDH1A1CA2ATMHPGD | |
| SCHEMBL22960180 | 0.69 | TSHR (0.44) | ALDH1A1ATMHPGDTSHR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108949183-A | Desert greening method | 中国科学院寒区旱区环境与工程研究所 | 2018-12-07 | — | — | CN | claimed |
| CN-108951597-A | A kind of vegetative sand control method | 中国科学院寒区旱区环境与工程研究所 | 2018-12-07 | — | — | CN | claimed |
| CN-108949182-A | Sand-fixing composition and preparation method and application thereof | 中国科学院寒区旱区环境与工程研究所 | 2018-12-07 | — | — | CN | claimed |
| CN-105504130-A | Compound type dust inhibiting and sand solidifying agent and preparation method thereof | UNIV SHANXI | 2016-04-20 | — | — | CN | claimed |
| CN-108949183-A | Desert greening method | 中国科学院寒区旱区环境与工程研究所 | 2018-12-07 | — | — | CN | disclosed |
| CN-108949182-A | Sand-fixing composition and preparation method and application thereof | 中国科学院寒区旱区环境与工程研究所 | 2018-12-07 | — | — | CN | disclosed |
| CN-108951597-A | A kind of vegetative sand control method | 中国科学院寒区旱区环境与工程研究所 | 2018-12-07 | — | — | CN | disclosed |
| CN-105504130-A | Compound type dust inhibiting and sand solidifying agent and preparation method thereof | UNIV SHANXI | 2016-04-20 | — | — | CN | disclosed |