Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.47 |
| ▸ | CDK9 | P50750 | 1/20 | 0.46 |
| ▸ | HTR1B | P28222 | 5/20 | 0.41 |
| ▸ | EPM2A | O95278 | 1/20 | 0.41 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.41 |
| ▸ | CDC14A | Q9UNH5 | 1/20 | 0.41 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.40 |
| ▸ | WNT3A | P56704 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL19914471 | 0.81 | CYP2A6 (0.44) | CYP2A6DYRK1ACDK9HTR1BKDM4E | |
| SCHEMBL2008439 | 0.76 | CYP2A6 (0.50) | CYP2A6DYRK1ACDK9HTR1BEPM2A | |
| SCHEMBL2149910 | 0.73 | CYP2A6 (0.54) | CYP2A6DYRK1ACDK9HTR1BEPM2A | |
| SCHEMBL12319505 | 0.71 | CYP2A6 (0.50) | CYP2A6DYRK1ACDK9HTR1BEPM2A | |
| SCHEMBL320843 | 0.71 | DYRK1A (0.55) | CYP2A6DYRK1ACDK9HTR1BEPM2A | |
| SCHEMBL276359 | 0.71 | CYP2A6 (0.55) | CYP2A6DYRK1ACDK9HTR1BEPM2A | |
| SCHEMBL6733 | 0.71 | CYP2A6 (0.50) | CYP2A6DYRK1ACDK9HTR1BEPM2A | |
| SCHEMBL826762 | 0.71 | CYP2A6 (0.50) | CYP2A6DYRK1ACDK9HTR1BEPM2A | |
| SCHEMBL317485 | 0.71 | CYP2A6 (0.50) | CYP2A6DYRK1ACDK9HTR1BEPM2A | |
| SCHEMBL172397 | 0.71 | CTNNB1 (0.54) | CYP2A6DYRK1ACDK9HTR1BCTNNB1 |
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-20230257395-A1 | TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2023-08-17 | — | — | US | disclosed |
| US-20210253593-A1 | SUBSTITUTED INDOLE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2021-08-19 | — | — | US | disclosed |
| WO-2020223551-A1 | INHIBITING OTUB1 | INTEGRAL EARLY DISCOVERY, INC. (US) | 2020-11-05 | — | — | WO | disclosed |
| WO-2018039621-A1 | INHIBITION OF OLIG2 ACTIVITY | Curtana Pharmaceuticals, Inc. (US) | 2018-03-01 | — | — | WO | disclosed |
| US-20110124578-A1 | AMINO ACID INHIBITORS OF CYTOCHROME P450 | SEQUOIA PHARMACEUTICALS INC. (US) | 2011-05-26 | — | — | US | disclosed |
| US-20030187023-A1 | Sulfone derivatives, process for their production and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2003-10-02 | — | — | US | disclosed |
| EP-1302462-A1 | SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2003-04-16 | — | — | EP | 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-20110124578-A1 | AMINO ACID INHIBITORS OF CYTOCHROME P450 | CYP3A43, CYP7A1, CYP3A5 | CYP2A6 17/4885DYRK1A 2762/4885CDK9 730/4885 |
| US-20230257395-A1 | TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS | TRPA1, TRPV1, TRPV5 | CYP2A6 3564/4885DYRK1A 1894/4885CDK9 1936/4885 |
| US-20030187023-A1 | Sulfone derivatives, process for their production and use thereof | SULT1E1, RRS1, SHH | CYP2A6 455/4885DYRK1A 3009/4885CDK9 2826/4885 |
| US-20210253593-A1 | SUBSTITUTED INDOLE COMPOUNDS | TLR7, TLR1, HTR7 | CYP2A6 1774/4885DYRK1A 1896/4885CDK9 571/4885 |
“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.