Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 4/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | WNT3A | P56704 | 1/20 | 0.38 |
| ▸ | EPM2A | O95278 | 1/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.38 |
| ▸ | CDC14A | Q9UNH5 | 1/20 | 0.38 |
| ▸ | PTPN22 | Q9Y2R2 | 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 | |
|---|---|---|---|---|
| SCHEMBL3649528 | 0.84 | CYP2A6 (0.41) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL18876066 | 0.82 | CYP2A6 (0.40) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL16048196 | 0.82 | IDO1 (0.44) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5987181 | 0.82 | IDO1 (0.44) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL25082068 | 0.82 | CYP2A6 (0.40) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL24138808 | 0.82 | IDO1 (0.43) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6951917 | 0.82 | CYP2A6 (0.40) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6921640 | 0.82 | IDO1 (0.43) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2149910 | 0.81 | CYP2A6 (0.54) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20858649 | 0.79 | IDO1 (0.46) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210403482-A1 | TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2021-12-30 | — | — | US | disclosed |
| EP-2922845-B1 | ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF | MERIAL INC (US) | 2018-06-20 | — | — | EP | disclosed |
| US-8058425-B2 | Purine derivatives as kinase inhibitors | ELI LILLY AND COMPANY (US) | 2011-11-15 | — | — | US | disclosed |
| US-8022065-B2 | Purine derivatives as kinase inhibitors | ELI LILLY AND COMPANY (US) | 2011-09-20 | — | — | US | disclosed |
| US-20110207721-A1 | PURINE DERIVATIVES AS KINASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2011-08-25 | — | — | US | disclosed |
| US-20090105229-A1 | PURINE DERIVATIVES AS KINASE INHIBITORS | ELI LILLY AND COMPANY | 2009-04-23 | — | — | US | disclosed |
| US-7491716-B2 | Purine derivatives as kinase inhibitors | ELI LILLY AND COMPANY (US) | 2009-02-17 | — | — | US | disclosed |
| US-20050090483-A1 | Purine derivatives as kinase inhibitors | ELI LILLY AND COMPANY | 2005-04-28 | — | — | 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 (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-20050090483-A1 | Purine derivatives as kinase inhibitors | PNP, ADK, NME2 | CYP2A6 2565/4885KDM4E 1308/4885CYP3A4 2350/4885 |
| US-20110207721-A1 | PURINE DERIVATIVES AS KINASE INHIBITORS | PNP, ADK, NME2 | CYP2A6 2565/4885KDM4E 1308/4885CYP3A4 2350/4885 |
| US-20210403482-A1 | TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS | TRPA1, TRPV1, TRPV5 | CYP2A6 3564/4885KDM4E 4765/4885CYP3A4 3182/4885 |
| US-20090105229-A1 | PURINE DERIVATIVES AS KINASE INHIBITORS | PNP, ADK, NME2 | CYP2A6 2565/4885KDM4E 1308/4885CYP3A4 2350/4885 |
“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.