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 | 7/20 | 0.58 |
| ▸ | CA2 known ✓ | P00918 | 7/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | FLT1 | P17948 | 1/20 | 0.46 |
| ▸ | FLT4 | P35916 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | KMO | O15229 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4847002 | 1.00 | TSHR (0.61) | TSHRCA1CA2SRD5A2KDM4E | |
| Zinc Ion SCHEMBL10603900 | 0.95 | TSHR (0.61) | TSHRCA1CA2SRD5A2KDM4E | |
| Potassium Ion SCHEMBL9225991 | 0.95 | TSHR (0.61) | TSHRCA1CA2SRD5A2KDM4E | |
| SCHEMBL31384757 | 0.83 | CA2 (0.54) | TSHRCA1CA2SRD5A2KDM4E | |
| Zinc Ion SCHEMBL29096678 | 0.78 | CA1 (0.50) | TSHRCA1CA2SRD5A2KDM4E | |
| SCHEMBL3184435 | 0.78 | TSHR (0.70) | TSHRSRD5A2KDM4EMEN1NPC1 | |
| SCHEMBL6322177 | 0.78 | SRD5A2 (0.79) | TSHRSRD5A2KDM4EMEN1NPC1 | |
| Potassium Ion SCHEMBL5794413 | 0.77 | ALDH1A1 (0.51) | TSHRCA1CA2HPGDPOLB | |
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL10608942 | 0.77 | VCAM1 (0.74) | CA1CA2KDM4EMEN1MAPT | |
| SCHEMBL8007954 | 0.77 | CA2 (0.47) | TSHRCA1CA2 |
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-118452207-A | Additive composition for pigment disinfection and method thereof | 金诺斯公司 | 2024-08-09 | — | — | CN | disclosed |
| CN-116941998-A | Apparatus, composition and method for decontaminating surfaces | 金诺斯公司 | 2023-10-27 | — | — | CN | disclosed |
| CN-112512318-B | Apparatus, composition and method for decontaminating surfaces | 金诺斯公司 | 2023-07-04 | — | — | CN | disclosed |
| CN-114258912-A | Compositions and methods for surface decontamination | 金诺斯公司 | 2022-04-01 | — | — | CN | disclosed |