Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | PGR | P06401 | 2/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13130594 | 0.93 | CYP2A6 (0.61) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1 | |
| SCHEMBL14640117 | 0.82 | CYP2A6 (0.52) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1 | |
| SCHEMBL2122531 | 0.82 | CYP2A6 (0.58) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1 | |
| SCHEMBL28479595 | 0.82 | CYP2A6 (0.52) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1 | |
| SCHEMBL10407505 | 0.82 | CYP2A6 (0.52) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1 | |
| SCHEMBL693906 | 0.82 | CYP2A6 (0.59) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1 | |
| SCHEMBL1821918 | 0.81 | CYP2A6 (0.60) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1 | |
| SCHEMBL29018974 | 0.80 | CYP2A6 (0.50) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1 | |
| SCHEMBL28228496 | 0.79 | PTGS2 (0.71) | PTGS2 | |
| SCHEMBL722595 | 0.79 | CYP2A6 (0.56) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1 |
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-10460879-B2 | Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye solution, dye-adsorbed electrode, and method for producing dye-sensitized solar cell | FUJIFILM CORPORATION (JP) | 2019-10-29 | — | — | US | disclosed |
| US-8063099-B2 | Trans-3-aza-bicyclo[3.1.0]hexane derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-11-22 | — | — | US | disclosed |
| US-8003626-B2 | in particular fungicidally active; use in agriculture or horticulture for controlling/preventing infestation of plants by phytopathogens; 1-methyl-3-trifluoromethyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid [2-(1,3-dimethyl-butyl)-thiophen-3-yl]-amide | SYNGENTA CROP PROTECTION, INC. (US) | 2011-08-23 | — | — | US | disclosed |
| EP-2185512-B1 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-12-29 | — | — | EP | disclosed |
| US-20100204285-A1 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-08-12 | — | — | US | disclosed |
| WO-2009016560-A2 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-05 | — | — | WO | disclosed |
| US-20080188442-A1 | Pyrazole-4-Carboxamide Derivatives as Microbiocides | SYNGENTA CROP PROTECTION, INC. (US) | 2008-08-07 | — | — | 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 (3 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-20080188442-A1 | Pyrazole-4-Carboxamide Derivatives as Microbiocides | CD14, FPR1, FPR2 | CYP2A6 234/4885CYP3A4 38/4885CYP2C19 59/4885 |
| US-20100204285-A1 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | HCRTR1, HCRTR2, CNR1 | CYP2A6 512/4885CYP3A4 500/4885CYP2C19 447/4885 |
| US-10460879-B2 | Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye solution, dye-adsorbed electrode, and method for producing dye-sensitized solar cell | CHRM1, L1CAM, CRY1 | CYP2A6 3345/4885CYP3A4 2894/4885CYP2C19 3657/4885 |
“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.