Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Toluene. 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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 6/20 | 0.46 |
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.46 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.46 |
| ▸ | NOD2 known ✓ | Q9HC29 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 6/20 | 0.46 |
| ▸ | GAA | P10253 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL2780838 | 0.86 | ALOX12 (0.58) | LMNAALOX12TSHRACHECA12 | |
| Toluene SCHEMBL3973761 | 0.84 | ALOX12 (0.61) | LMNAALOX12TSHRACHECA12 | |
| Toluene SCHEMBL4909843 | 0.82 | LMNA (0.52) | LMNAALOX12TSHRACHECA12 | |
| Toluene SCHEMBL7340462 | 0.81 | ALOX12 (0.58) | LMNAALOX12TSHRACHECA12 | |
| Toluene SCHEMBL632359 | 0.81 | LMNA (0.46) | LMNAALOX12TSHRACHECA12 | |
| Benzene SCHEMBL180753 | 0.81 | CA12 (0.36) | TSHRCA12CA9CA2ALDH1A1 | |
| Toluene SCHEMBL4761069 | 0.80 | LMNA (0.50) | LMNAALOX12TSHRACHECA12 | |
| Toluene SCHEMBL4651397 | 0.80 | ALOX12 (0.50) | LMNAALOX12TSHRACHECA12 | |
| Toluene SCHEMBL7340467 | 0.79 | TSHR (0.55) | LMNAALOX12TSHRACHECA12 | |
| Toluene SCHEMBL8368950 | 0.79 | ALOX12 (0.55) | LMNAALOX12TSHRACHECA12 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4565787-A | N-HALOGENO-N-METAL ARYSULFONAMIDATES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1986-01-21 | — | — | US | claimed |
| US-6586511-B1 | Multilayer; containing saponification polymer | ACUSHNET COMPANY | 2003-07-01 | — | — | US | disclosed |
| US-5424402-A | Non-destructive method for radiolabelling biomolecules by halogenation | BOARD OF TRUSTEES OF THE UNIVERSITY OF KENTUCKY (US) | 1995-06-13 | — | — | US | disclosed |
| US-4336270-A | BACTERICIDES, FUNGICIDES | CIBA-GEIGY CORPORATION (US) | 1982-06-22 | — | — | US | disclosed |
| US-4160833-A | ANIMAL FEED ADDITIVE AND MICROBIOCIDE | CIBA-GEIGY CORPORATION (US) | 1979-07-10 | — | — | US | disclosed |
| US-3991124-A | FOR CONTROLLING MICROORGANISMS AND HELMINTHS | CIBA-GEIGY CORPORATION (US) | 1976-11-09 | — | — | US | disclosed |
| US-3956402-A | MICROBIOCIDES | CIBA-GEIGY CORPORATION (US) | 1976-05-11 | — | — | US | disclosed |