Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.64 |
| ▸ | CA2 | P00918 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.58 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.53 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9637773 | 0.84 | KDM4E (0.63) | KDM4EGAAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7959771 | 0.83 | PLK1 (0.64) | KDM4EGAAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL13527526 | 0.81 | GAA (0.58) | KDM4EGAAHDAC3HDAC1HDAC2 | |
| SCHEMBL5036685 | 0.81 | CA1 (0.66) | CA1CA2KDM4EGAAHDAC3 | |
| SCHEMBL6506738 | 0.81 | KDM4E (0.58) | KDM4EGAAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL1012519 | 0.80 | NPC1 (0.70) | CA1CA2KDM4EMEN1KMT2A | |
| SCHEMBL13753808 | 0.79 | MAPT (0.56) | KDM4EGAAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8437113 | 0.79 | KDM4E (0.71) | KDM4EGAAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL25508540 | 0.79 | CES2 (0.64) | KDM4EGAAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL942259 | 0.78 | CA1 (1.00) | CA1CA2GAAHDAC1HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013059582-A2 | SMALL MOLECULE INHIBITORS OF HISTONE DEACTEYLASES | NUPOTENTIAL, INC. (US) | 2013-04-25 | — | — | WO | disclosed |
| US-20100041653-A1 | COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS | BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) | 2010-02-18 | — | — | US | disclosed |
| US-20100041653-A1 | COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS | BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) | 2010-02-18 | — | — | US | disclosed |
| US-20050197350-A1 | Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof | TAISHO PHARMACEUTICAL CO., LTD. | 2005-09-08 | — | — | US | disclosed |
| WO-2004087669-A1 | NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF | TAISHO PHARMACEUTICAL CO. LTD. (JP) | 2004-10-14 | — | — | 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-20050197350-A1 | Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof | HCRTR2, MCHR1, MCHR2 | CA1 4356/4885CA2 4346/4885KDM4E 1190/4885 |
| US-20100041653-A1 | COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS | HELZ, MMEL1, GAA | CA1 342/4885CA2 294/4885KDM4E 1563/4885 |
“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.