Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.44 |
| ▸ | VDR | P11473 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 5/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.36 |
| ▸ | NPC1 | O15118 | 5/20 | 0.36 |
| ▸ | RAB9A | P51151 | 5/20 | 0.36 |
| ▸ | FBP1 | P09467 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL513443 | 0.78 | NPC1 (0.44) | HDAC1HDAC6ALDH1A1MAPTNPSR1 | |
| SCHEMBL512899 | 0.76 | KDM4E (0.48) | HDAC1HDAC6ALDH1A1MAPTHPGD | |
| SCHEMBL512797 | 0.76 | KDM4E (0.47) | ALDH1A1MAPTHPGDHTTNPSR1 | |
| SCHEMBL514330 | 0.72 | NPC1 (0.46) | HDAC1HDAC6HDAC8MAPTKDM4E | |
| SCHEMBL513766 | 0.72 | ALDH1A1 (0.40) | HDAC1HDAC6HDAC8ALDH1A1HPGD | |
| SCHEMBL15203949 | 0.69 | TSHR (0.38) | HDAC1ALDH1A1MAPTHTTKDM4E | |
| SCHEMBL5010542 | 0.68 | PGK1 (0.53) | ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL10247601 | 0.68 | HDAC1 (0.45) | HDAC1HDAC6HDAC8S1PR1S1PR3 | |
| SCHEMBL5758856 | 0.66 | HDAC1 (0.52) | HDAC1HDAC6HDAC8S1PR1S1PR3 | |
| SCHEMBL3558527 | 0.65 | HDAC1 (0.71) | HDAC1HDAC6HDAC8ALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120028931-A1 | HETEROCYCLIC M-GLU5 ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2012-02-02 | — | — | 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-20120028931-A1 | HETEROCYCLIC M-GLU5 ANTAGONISTS | OPRM1, GRM5, OPRD1 | HDAC1 1703/4885HDAC6 1642/4885HDAC8 2410/4885 |
“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.