Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.55 |
| ▸ | CA2 | P00918 | 4/20 | 0.55 |
| ▸ | ESR1 | P03372 | 3/20 | 0.55 |
| ▸ | CA9 | Q16790 | 3/20 | 0.55 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.55 |
| ▸ | PKM | P14618 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.55 |
| ▸ | CA3 | P07451 | 2/20 | 0.55 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.55 |
| ▸ | CA4 | P22748 | 2/20 | 0.55 |
| ▸ | CA6 | P23280 | 2/20 | 0.55 |
| ▸ | DPP4 | P27487 | 2/20 | 0.55 |
| ▸ | CA5A | P35218 | 2/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.55 |
| ▸ | TYR | P14679 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1237242 | 1.00 | CA1 (0.55) | CA1CA2ESR1CA9HCAR2 | |
| SCHEMBL1235788 | 0.84 | HDAC2 (0.57) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| SCHEMBL1235790 | 0.84 | HDAC2 (0.57) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| Hydrochloric Acid SCHEMBL11906058 | 0.82 | HDAC2 (0.56) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| Hydrochloric Acid SCHEMBL11906056 | 0.82 | HDAC2 (0.56) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| SCHEMBL6644786 | 0.81 | HDAC2 (0.57) | CA1CA2ESR1CA9HCAR2 | |
| SCHEMBL6644791 | 0.81 | HDAC2 (0.57) | CA1CA2ESR1CA9HCAR2 | |
| SCHEMBL11974249 | 0.81 | KDM4E (0.48) | CA1CA2HDAC1HDAC3HDAC4 | |
| SCHEMBL7747191 | 0.81 | ESR1 (0.54) | CA1CA2ESR1CA9HCAR2 | |
| SCHEMBL7747194 | 0.81 | ESR1 (0.54) | CA1CA2ESR1CA9HCAR2 |
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-10059657-B2 | Class-and isoform-specific HDAC inhibitors and uses thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2018-08-28 | — | — | US | disclosed |
| US-20170267630-A1 | CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-09-21 | — | — | US | disclosed |
| US-9540317-B2 | Class- and isoform-specific HDAC inhibitors and uses thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-01-10 | — | — | US | disclosed |
| US-20150307444-A1 | CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-10-29 | — | — | US | disclosed |
| US-8716344-B2 | Class- and isoform-specific HDAC inhibitors and uses thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2014-05-06 | — | — | US | disclosed |
| US-20120208889-A1 | CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF | DANA-FARBER CANCER INSTITUE, INC. (US) | 2012-08-16 | — | — | US | disclosed |
| WO-2011019393-A2 | CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2011-02-17 | — | — | 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 (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-20150307444-A1 | CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF | HDAC1, HDAC5, HDAC6 | CA1 238/4885CA2 242/4885ESR1 4291/4885 |
| US-20120208889-A1 | CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF | HDAC1, HDAC5, HDAC6 | CA1 238/4885CA2 242/4885ESR1 4291/4885 |
| US-20170267630-A1 | CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF | HDAC1, HDAC5, HDAC6 | CA1 238/4885CA2 242/4885ESR1 4291/4885 |
| US-10059657-B2 | Class-and isoform-specific HDAC inhibitors and uses thereof | HDAC1, HDAC5, HDAC6 | CA1 238/4885CA2 242/4885ESR1 4291/4885 |
“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.