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 | 3/20 | 0.52 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.52 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.48 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.48 |
| ▸ | TLR9 known ✓ | Q9NR96 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8764904 | 0.97 | ALDH1A1 (0.56) | ALDH1A1HSD17B10ACHELMNACA1 | |
| SCHEMBL1362 | 0.97 | ALDH1A1 (0.56) | ALDH1A1HSD17B10ACHELMNACA1 | |
| Hydrogen Sulfide SCHEMBL28277423 | 0.95 | ALDH1A1 (0.54) | ALDH1A1HSD17B10ACHELMNACA1 | |
| SCHEMBL7143035 | 0.95 | ALDH1A1 (0.54) | ALDH1A1HSD17B10ACHELMNACA1 | |
| Potassium Ion SCHEMBL7143040 | 0.95 | ALDH1A1 (0.54) | ALDH1A1HSD17B10ACHELMNACA1 | |
| Fluoride SCHEMBL29094702 | 0.95 | ALDH1A1 (0.54) | ALDH1A1HSD17B10ACHELMNACA1 | |
| SCHEMBL8934653 | 0.95 | ALDH1A1 (0.54) | ALDH1A1HSD17B10ACHELMNACA1 | |
| Fluoride SCHEMBL29135590 | 0.95 | ALDH1A1 (0.54) | ALDH1A1HSD17B10ACHELMNACA1 | |
| SCHEMBL1847802 | 0.90 | CA1 (0.55) | ALDH1A1HSD17B10ACHELMNACA1 | |
| Benzenethiol SCHEMBL27708403 | 0.85 | ALDH1A1 (0.68) | ALDH1A1HSD17B10ACHELMNACA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0203618-B1 | BENZOYL-UREAS HAVING INSECTICIDE ACTIVITY | ISTITUTO GUIDO DONEGANI S.p.A. (IT) | 1991-04-17 | — | — | EP | disclosed |
| US-4980376-A | LARVICIDES; ANTIFERTILITY AGENTS | ISTITUTO GUIDO DONEGANI S.P.A. (IT) | 1990-12-25 | — | — | US | disclosed |
| EP-0203618-A2 | Benzoyl-ureas having insecticide activity | ISTITUTO GUIDO DONEGANI S.p.A. (IT) | 1986-12-03 | — | — | EP | disclosed |
| US-4435387-A | COMPLEMENT SYSTEM MODULATORS | AMERICAN CYANAMID COMPANY (US) | 1984-03-06 | — | — | US | disclosed |