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 | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.39 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.36 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.36 |
| ▸ | ALDH5A1 known ✓ | P51649 | 1/20 | 0.35 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | RAD51 | Q06609 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ABAT | P80404 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | STS | P08842 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.34 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28890348 | 0.84 | RAD51 (0.45) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL9067089 | 0.82 | LMNA (0.46) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL11528923 | 0.82 | ALDH1A1 (0.53) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL29799102 | 0.82 | PTGS1 (0.56) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL10451438 | 0.82 | ALDH1A1 (0.38) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL2946046 | 0.82 | PTGS1 (0.56) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL29786781 | 0.78 | ALDH1A1 (0.62) | ALDH1A1TSHRALDH5A1ABATHPGD | |
| SCHEMBL2944789 | 0.78 | ALDH1A1 (0.62) | ALDH1A1TSHRALDH5A1ABATHPGD | |
| SCHEMBL2800194 | 0.73 | CYP2A6 (0.44) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL3383187 | 0.73 | LMNA (0.52) | KDM4ERAD51HSD17B10TDP1PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20020094993-A1 | Compositions for repelling crawling insects | S.C. JOHNSON & SON, INC. | 2002-07-18 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020094993-A1 | Compositions for repelling crawling insects | ACHE, DDT, GAP43 | PTGS2 3773/4885CA12 3997/4885CA1 1889/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.