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 | 0.67 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.67 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.60 |
| ▸ | MMP1 | P03956 | 1/20 | 0.67 |
| ▸ | MMP2 | P08253 | 1/20 | 0.67 |
| ▸ | MMP9 | P14780 | 1/20 | 0.67 |
| ▸ | MMP8 | P22894 | 1/20 | 0.67 |
| ▸ | MMP13 | P45452 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | F2 | P00734 | 1/20 | 0.56 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.56 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.56 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL46064 | 0.98 | CA1 (0.69) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL30339289 | 0.98 | CA1 (0.69) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL11514732 | 0.96 | CA1 (0.67) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL11514739 | 0.96 | CA1 (0.67) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL17978584 | 0.81 | CA1 (0.53) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL13026218 | 0.81 | CA1 (0.65) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL9375398 | 0.80 | CA1 (0.59) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL648427 | 0.80 | CA1 (0.69) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL30732635 | 0.80 | CA1 (0.69) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL5810580 | 0.80 | CA1 (0.69) | CA1CA2MMP1MMP2MMP9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4161524-A | INSECTICIDES, MITICIDES, NEMATOCIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1979-07-17 | — | — | US | disclosed |
| US-4150155-A | INSECTICIDES, NEMATOCIDES, MITICIDES | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1979-04-17 | — | — | US | disclosed |
| US-4134979-A | INSECTICIDES, MITICIDES, NEMATOCIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1979-01-16 | — | — | US | disclosed |