Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | OGA | O60502 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24827913 | 0.93 | CYP3A4 (0.36) | CYP3A4CYP2D6TSHRMEN1KMT2A | |
| SCHEMBL13131096 | 0.89 | USP2 (0.40) | CYP3A4CYP2D6TSHRMEN1KMT2A | |
| SCHEMBL24827851 | 0.87 | HSD17B10 (0.42) | CYP3A4CYP2D6TSHRMEN1KMT2A | |
| SCHEMBL17404871 | 0.86 | CYP2D6 (0.42) | CYP3A4CYP2D6TSHRHSD17B10ALDH1A1 | |
| SCHEMBL11947825 | 0.83 | CYP3A4 (0.53) | CYP3A4CYP2D6TSHRMEN1KMT2A | |
| SCHEMBL17404870 | 0.79 | MEN1 (0.40) | MEN1KMT2AHSD17B10OGATDP1 | |
| SCHEMBL24827849 | 0.78 | OGA (0.36) | CYP3A4CYP2D6TSHRMEN1KMT2A | |
| SCHEMBL9906447 | 0.76 | SMN1; SMN2 (0.42) | CYP2D6TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL24827911 | 0.75 | CYP3A4 (0.35) | CYP3A4CYP2D6TSHRMEN1KMT2A | |
| SCHEMBL13131034 | 0.74 | MAPT (0.48) | MEN1KMT2AALDH1A1HPGDCYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9573956-B2 | Compounds as dual inhibitors of phosphodiesterases and histone deacetylases | FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) | 2017-02-21 | — | — | US | disclosed |
| US-9573956-B2 | Compounds as dual inhibitors of phosphodiesterases and histone deacetylases | FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) | 2017-02-21 | — | — | US | disclosed |
| US-20160002246-A1 | NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES | FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) | 2016-01-07 | — | — | 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 (1 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-20160002246-A1 | NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES | PDE1A, HDAC1, HDAC2 | CYP3A4 2351/4885CYP2D6 2544/4885TSHR 3144/4885 |
“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.