Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 8/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.50 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL12471855 | 0.91 | KCNH2 (0.63) | KCNH2CYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL13017832 | 0.91 | KCNH2 (0.63) | KCNH2CYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL12472707 | 0.90 | KCNH2 (0.62) | KCNH2CYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL7212435 | 0.86 | KCNH2 (0.71) | KCNH2CYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL12472414 | 0.86 | KCNH2 (0.62) | KCNH2CYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL12471816 | 0.86 | KCNH2 (0.62) | KCNH2CYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL7208062 | 0.84 | KCNH2 (0.69) | KCNH2CYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL11904508 | 0.84 | KCNH2 (0.69) | KCNH2CYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL11904381 | 0.84 | KCNH2 (0.69) | KCNH2CYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL18343527 | 0.84 | KCNH2 (0.68) | KCNH2CYP3A4CYP2D6ADORA2AADORA1 |
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-10835524-B2 | Compositions for the treatment of pancreatic cancer and uses thereof | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2020-11-17 | — | — | US | claimed |
| US-10835524-B2 | Compositions for the treatment of pancreatic cancer and uses thereof | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2020-11-17 | — | — | US | disclosed |
| US-20180177776-A1 | COMPOSITIONS FOR THE TREATMENT OF CANCER AND USES THEREOF | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INCORPORATED (US) | 2018-06-28 | — | — | US | disclosed |
| WO-2016209688-A1 | COMPOSITIONS FOR THE TREATMENT OF CANCER AND USES THEREOF | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2016-12-29 | — | — | WO | disclosed |
| US-6608085-B1 | Administering for neuroprotection | VERNALIS RESEARCH LIMITED (GB) | 2003-08-19 | — | — | US | disclosed |
| EP-1107761-A2 | 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS (II) | VERNALIS RESEARCH LIMITED (GB) | 2001-06-20 | — | — | EP | disclosed |
| WO-2000013682-A2 | 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS.(II) | VERNALIS RESEARCH LIMITED (GB) | 2000-03-16 | — | — | 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 (2 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-10835524-B2 | Compositions for the treatment of pancreatic cancer and uses thereof | PIK3CA, MTOR, PIK3CD | KCNH2 4461/4885CYP3A4 198/4885CYP2D6 1720/4885 |
| US-20180177776-A1 | COMPOSITIONS FOR THE TREATMENT OF CANCER AND USES THEREOF | PIK3CA, MTOR, PIK3CD | KCNH2 4605/4885CYP3A4 128/4885CYP2D6 1182/4885 |
“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.