Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Benzene. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 3/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | CASP6 | P55212 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | NT5E | P21589 | 3/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | SNCA | P37840 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NSD2 | O96028 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL391971 | 0.88 | ALDH1A1 (0.69) | ALDH1A1HSD17B10KDM4EGAAPKM | |
| SCHEMBL28975738 | 0.86 | ALDH1A1 (0.67) | ALDH1A1HSD17B10KDM4EGAAPKM | |
| Sulfuric Acid SCHEMBL15094054 | 0.86 | GAA (0.73) | ALDH1A1HSD17B10KDM4EGAAPKM | |
| Benzene SCHEMBL11045134 | 0.77 | ALDH1A1 (0.60) | ALDH1A1HSD17B10KDM4EGAAPKM | |
| SCHEMBL342600 | 0.76 | ALDH1A1 (0.62) | ALDH1A1HSD17B10KDM4EGAAPKM | |
| SCHEMBL7692151 | 0.75 | ALDH1A1 (0.65) | ALDH1A1HSD17B10KDM4EGAAPKM | |
| SCHEMBL6897205 | 0.74 | ALDH1A1 (0.67) | ALDH1A1HSD17B10KDM4EGAAPKM | |
| SCHEMBL745596 | 0.74 | ALDH1A1 (0.73) | ALDH1A1HSD17B10KDM4EGAAPKM | |
| SCHEMBL30460505 | 0.74 | ALDH1A1 (0.73) | ALDH1A1HSD17B10KDM4EGAAPKM | |
| Phosphoric Acid SCHEMBL230224 | 0.73 | TSHR (0.80) | ALDH1A1HSD17B10CYP2C19TSHRTDP1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0623159-B1 | CONJUGATED POLYMER PAINT FORMULATIONS WHICH PROVIDE CORROSION RESISTANCE TO METAL SURFACES | ZIPPERLING KESSLER & CO (DE) | 1999-06-16 | — | — | EP | disclosed |
| EP-0581886-B1 | METHOD OF PROCESSING NEUTRAL POLYANILINES IN SOLVENT AND SOLVENT MIXTURES | ZIPPERLING KESSLER & CO (DE) | 1999-03-10 | — | — | EP | disclosed |
| US-5853621-A | Corrosion resistant paint | MONSANTO COMPANY (US) | 1998-12-29 | — | — | US | disclosed |
| EP-0563281-B1 | METHOD FOR PROCESSING ELECTRICALLY CONDUCTIVE POLYANILINES IN LEWIS-BASE SOLVENTS | MONSANTO CO (US) | 1998-08-05 | — | — | EP | disclosed |
| US-5648416-A | NONCONDUCTIVE CONJUGATED POLYMER, POLYANILINES | MONSANTO COMPANY (US) | 1997-07-15 | — | — | US | disclosed |
| EP-0623159-A1 | CONJUGATED POLYMER PAINT FORMULATIONS WHICH PROVIDE CORROSION RESISTANCE TO METAL SURFACES | AlliedSignal Inc. (US) | 1994-11-09 | — | — | EP | disclosed |
| EP-0593648-A1 | CONDUCTIVE POLYMER FILM FORMATION USING INITIATOR PRETREATMENT | AlliedSignal Inc. (US) | 1994-04-27 | — | — | EP | disclosed |
| EP-0581886-A1 | METHOD OF PROCESSING NEUTRAL POLYANILINES IN SOLVENT AND SOLVENT MIXTURES | AlliedSignal Inc. (US) | 1994-02-09 | — | — | EP | disclosed |
| EP-0563281-A1 | METHOD FOR PROCESSING ELECTRICALLY CONDUCTIVE POLYANILINES IN LEWIS-BASE SOLVENTS | AlliedSignal Inc. (US) | 1993-10-06 | — | — | EP | disclosed |
| EP-0563289-A1 | METHOD OF PROCESSING ELECTRICALLY CONDUCTIVE POLYANILINES IN SOLVENT MIXTURES | AlliedSignal Inc. (US) | 1993-10-06 | — | — | EP | disclosed |
| WO-1993014166-A1 | CONJUGATED POLYMER PAINT FORMULATIONS WHICH PROVIDE CORROSION RESISTANCE TO METAL SURFACES | ALLIED-SIGNAL INC. (US) | 1993-07-22 | — | — | WO | disclosed |
| WO-1993001229-A1 | CONDUCTIVE POLYMER FILM FORMATION USING INITIATOR PRETREATMENT | ALLIED-SIGNAL INC. (US) | 1993-01-21 | — | — | WO | disclosed |
| US-5171478-A | Doping with organic acids or salts; electroconductive | ALLIED-SIGNAL INC. (US) | 1992-12-15 | — | — | US | disclosed |
| WO-1992018572-A2 | METHOD OF PROCESSING NEUTRAL POLYANILINES IN SOLVENT AND SOLVENT MIXTURES | ALLIED-SIGNAL INC. (US) | 1992-10-29 | — | — | WO | disclosed |
| WO-1992015632-A1 | THERMALLY INDUCED CHAIN COUPLING IN SOLID STATE POLYANILINE | ALLIED-SIGNAL INC. (US) | 1992-09-17 | — | — | WO | disclosed |
| WO-1992011644-A1 | METHOD OF PROCESSING ELECTRICALLY CONDUCTIVE POLYANILINES IN SOLVENT MIXTURES | ALLIED-SIGNAL INC. (US) | 1992-07-09 | — | — | WO | disclosed |
| WO-1992011645-A1 | METHOD FOR PROCESSING ELECTRICALLY CONDUCTIVE POLYANILINES IN LEWIS-BASE SOLVENTS | ALLIED-SIGNAL INC. (US) | 1992-07-09 | — | — | WO | disclosed |
| EP-0461182-A1 | THERMALLY STABLE FORMS OF ELECTRICALLY CONDUCTIVE POLYANILINE. | ALLIED SIGNAL INC (US) | 1991-12-18 | — | — | EP | disclosed |
| WO-1990010297-A1 | THERMALLY STABLE FORMS OF ELECTRICALLY CONDUCTIVE POLYANILINE | ALLIED-SIGNAL INC. (US) | 1990-09-07 | — | — | WO | disclosed |