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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.35 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.35 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.35 |
| ▸ | P2RY2 known ✓ | P41231 | 1/20 | 0.32 |
| ▸ | P2RY4 known ✓ | P51582 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL28014996 | 0.78 | ESR1 (0.43) | ESR1ACP3ALDH1A1L3MBTL1CA12 | |
| SCHEMBL3884585 | 0.78 | ESR1 (0.43) | ESR1ACP3ALDH1A1L3MBTL1HTT | |
| O-Xylene SCHEMBL3381232 | 0.73 | TSHR (0.59) | ALDH1A1LMNATDP1CA12CA1 | |
| Sulfuric Acid SCHEMBL27986283 | 0.71 | GABRA1 (0.46) | ESR1ACP3ALDH1A1LMNATDP1 | |
| SCHEMBL15290491 | 0.69 | ESR1 (0.43) | ESR1ACP3ALDH1A1L3MBTL1HTT | |
| SCHEMBL6220718 | 0.69 | ESR1 (0.52) | ESR1ACP3ALDH1A1TDP1CA1 | |
| SCHEMBL5493731 | 0.68 | ESR1 (0.56) | ESR1ACP3ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL29392590 | 0.68 | ESR1 (0.56) | ESR1ACP3ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL146510 | 0.68 | ESR1 (0.56) | ESR1ACP3ALDH1A1TDP1CA1 | |
| SCHEMBL6546306 | 0.68 | ESR1 (0.56) | ESR1ACP3ALDH1A1TDP1CA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109898131-B | Preparation method of perforated black phosphorus alkene material | 昆明理工大学 | 2021-07-09 | — | — | CN | disclosed |