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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.43 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.47 |
| ▸ | CCR1 | P32246 | 4/20 | 0.47 |
| ▸ | CCR8 | P51685 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CCR5 | P51681 | 2/20 | 0.47 |
| ▸ | GMNN | O75496 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL30286050 | 0.99 | KDM4E (0.46) | KDM4EMAPTTDP1CCR1CCR8 | |
| Water SCHEMBL29026640 | 0.81 | LMNA (0.45) | KDM4EMAPTLMNAHTTSMN1; SMN2 | |
| SCHEMBL23246436 | 0.78 | KDM4E (0.52) | KDM4EMAPTTDP1CCR1CCR8 | |
| SCHEMBL4108638 | 0.76 | MAPK1 (0.66) | KDM4EMAPTTDP1LMNAHTT | |
| Phenanthroline SCHEMBL8722750 | 0.75 | KDM4E (0.70) | KDM4EMAPTTDP1CCR1CCR8 | |
| Phenanthroline SCHEMBL623252 | 0.75 | KDM4E (0.70) | KDM4EMAPTTDP1CCR1CCR8 | |
| Phenanthroline SCHEMBL6045190 | 0.75 | KDM4E (0.70) | KDM4EMAPTTDP1CCR1CCR8 | |
| Phenanthroline SCHEMBL8686399 | 0.75 | KDM4E (0.70) | KDM4EMAPTTDP1CCR1CCR8 | |
| Phenanthroline SCHEMBL30613730 | 0.75 | KDM4E (0.70) | KDM4EMAPTTDP1CCR1CCR8 | |
| Phenanthroline SCHEMBL29278209 | 0.75 | KDM4E (0.70) | KDM4EMAPTTDP1CCR1CCR8 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111758020-B | Ultra low range fluorometer calibration | 埃科莱布美国股份有限公司 | 2024-05-17 | — | — | CN | disclosed |
| CN-110100009-B | Method for chemical ligation of nucleic acids | 伊鲁米那股份有限公司 | 2023-11-21 | — | — | CN | disclosed |
| CN-113242760-B | Rapid tracer injection for monitoring osmotic membrane integrity | 埃科莱布美国股份有限公司 | 2023-10-03 | — | — | CN | disclosed |
| CN-116297428-A | Method for detecting alkaline phosphatase and application thereof | 浙江大学 | 2023-06-23 | — | — | CN | disclosed |