Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Paraquat. 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 | |
|---|---|---|---|---|
| ▸ | TERT | O14746 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.43 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.43 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1001154 | 0.92 | TERT (0.55) | TERTGAACA12CA1CA2 | |
| SCHEMBL10844389 | 0.90 | PABPC1 (0.58) | TERTGAASLC6A4SLC22A2SLC22A1 | |
| SCHEMBL1982598 | 0.85 | TERT (0.49) | TERTGAACA12CA1CA2 | |
| Alcohol SCHEMBL27993658 | 0.84 | TERT (0.49) | TERTGAACA12CA1CA2 | |
| SCHEMBL3774913 | 0.84 | TERT (0.49) | TERTGAACA12CA1CA2 | |
| SCHEMBL31397607 | 0.83 | TERT (0.48) | TERTGAASLC6A4SLC22A2SLC22A1 | |
| SCHEMBL7047125 | 0.82 | CYP2A6 (0.48) | TERTGAACA12CA1CA2 | |
| SCHEMBL8987883 | 0.81 | TERT (0.50) | TERTGAACA12CA1CA2 | |
| SCHEMBL9864698 | 0.81 | GAA (0.54) | GAACA12CA1CA2CA3 | |
| SCHEMBL24352 | 0.81 | MAPT (0.49) | TERTGAACA1CA2ALDH1A1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7500895-B2 | Patterned substrate, electro-optical device, and method for manufacturing an electro-optical device | SEIKO EPSON CORPORATION (JP) | 2009-03-10 | — | — | US | disclosed |
| US-20060127563-A1 | Patterned substrate, electro-optical device, and method for manufacturing an electro-optical device | SEIKO EPSON CORPORATION (JP) | 2006-06-15 | — | — | US | disclosed |
| US-20050287392-A1 | Organic electroluminescent device, method for producing the same, and electronic apparatus | SEIKO EPSON CORPORATION (JP) | 2005-12-29 | — | — | US | disclosed |
| US-20050209459-A1 | Processes for the preparation of 1,5-diryl-3-substituted-pyrazoles | REDDY M V R | 2005-09-22 | — | — | US | disclosed |
| US-6906196-B2 | Processes for the preparation of 1,5-diaryl-3-substituted-pyrazoles | ONCONOVA THERAPEUTICS, INC. (US) | 2005-06-14 | — | — | US | disclosed |
| US-6706927-B2 | INTERMEDIATES IN PREPARATION OF 1,5-DIARYLPYRAZOLE ANTIINFLAMMATORY AGENTS | ONCONOVA THERAPEUTICS, INC. | 2004-03-16 | — | — | US | disclosed |
| US-20030199707-A1 | ALKYNE KETONES | ONCONOVA THERAPEUTICS, INC. | 2003-10-23 | — | — | US | disclosed |
| US-6579988-B2 | Condensation cyclization of an alkyne and a para-sulfone or sulfonamide phenyl hydrazine | ONCONOVA THERAPEUTICS, INC. | 2003-06-17 | — | — | US | disclosed |
| US-20030109709-A1 | Processes for the preparation of 1,5-diaryl-3-substituted-pyrazoles | ONCONOVA THERAPEUTICS, INC. | 2003-06-12 | — | — | US | disclosed |
| US-20030096853-A1 | PROCESSES FOR THE PREPARATION OF 1,5-DIARYLPYRAZOLES | ONCONOVA THERAPEUTICS, INC. | 2003-05-22 | — | — | US | disclosed |
| WO-2003024400-A2 | PROCESS FOR THE PREPARATION OF 1,5-DIARYLPYRAZOLES | ONCONOVA THERAPEUTICS, INC. (US) | 2003-03-27 | — | — | WO | 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 (4 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-20050209459-A1 | Processes for the preparation of 1,5-diryl-3-substituted-pyrazoles | CYP2E1, CYP1A1, CYP1B1 | TERT 486/4885GAA 3728/4885SLC6A4 3985/4885 |
| US-20030096853-A1 | PROCESSES FOR THE PREPARATION OF 1,5-DIARYLPYRAZOLES | CBR1, CYP1A1, CYP1B1 | TERT 898/4885GAA 4757/4885SLC6A4 3252/4885 |
| US-20030199707-A1 | ALKYNE KETONES | CBR1, CBR3, CYC1 | TERT 1302/4885GAA 4696/4885SLC6A4 3774/4885 |
| US-20030109709-A1 | Processes for the preparation of 1,5-diaryl-3-substituted-pyrazoles | CYP1B1, CYP1A1, CYP2E1 | TERT 460/4885GAA 3780/4885SLC6A4 3658/4885 |
“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.