Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | CCNC | P24863 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9251495 | 0.86 | ALDH1A1 (0.40) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL9251499 | 0.86 | ALDH1A1 (0.40) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL11813693 | 0.83 | L3MBTL1 (0.46) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL11813691 | 0.83 | L3MBTL1 (0.46) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL9015402 | 0.80 | CA1 (0.44) | CA1CA2GAA | |
| SCHEMBL9015404 | 0.80 | CA1 (0.44) | CA1CA2GAA | |
| SCHEMBL16268938 | 0.79 | CA12 (0.44) | ALDH1A1CA12CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL16268939 | 0.78 | CA12 (0.43) | ALDH1A1CA12CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL16268936 | 0.78 | CA12 (0.43) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL837314 | 0.77 | ALOX5 (0.43) | ALDH1A1CA12CA1CA2CA7 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9643919-B2 | Cycloalkyl-dione derivatives and methods of their use | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2017-05-09 | — | — | US | disclosed |
| US-20160031805-A1 | CYCLOALKYL-DIONE DERIVATIVES AND METHODS OF THEIR USE | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-02-04 | — | — | US | disclosed |
| US-8927586-B2 | Thromboxane A2 (TP) receptor antagonists | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2015-01-06 | — | — | US | disclosed |
| US-20130190370-A1 | Novel Tetrahydronaphalene Antagonists to the Thromboxane A2 (TP) Receptor | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2013-07-25 | — | — | US | disclosed |
| US-20130165488-A1 | Novel Thromboxane A2 (TP) Receptor Antagonists | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2013-06-27 | — | — | 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-20160031805-A1 | CYCLOALKYL-DIONE DERIVATIVES AND METHODS OF THEIR USE | CYP1B1, SQLE, C1S | ALDH1A1 180/4885CA12 1980/4885CA1 1371/4885 |
| US-20130190370-A1 | Novel Tetrahydronaphalene Antagonists to the Thromboxane A2 (TP) Receptor | TBXA2R, PTGIR, PTGFR | ALDH1A1 3793/4885CA12 3476/4885CA1 3562/4885 |
| US-20130165488-A1 | Novel Thromboxane A2 (TP) Receptor Antagonists | TBXA2R, TBXAS1, PTGIR | ALDH1A1 2310/4885CA12 3580/4885CA1 2412/4885 |
“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.