Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.37 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.35 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21570231 | 0.80 | ALDH1A1 (0.37) | HDAC6HDAC3HDAC1HDAC7HDAC2 | |
| SCHEMBL18372195 | 0.79 | OPRD1 (0.49) | HPGD | |
| SCHEMBL1393022 | 0.77 | ALDH1A1 (0.39) | HDAC6KDM2BPOLBHPGDMAPT | |
| SCHEMBL21576352 | 0.72 | HDAC6 (0.48) | HDAC6HDAC3HDAC1HDAC7HDAC2 | |
| SCHEMBL28498863 | 0.70 | ALDH1A1 (0.36) | HDAC6HDAC3HDAC1HDAC7HDAC2 | |
| SCHEMBL21576359 | 0.69 | HDAC6 (0.52) | HDAC6HDAC3HDAC1HDAC7HDAC2 | |
| SCHEMBL12283183 | 0.69 | HDAC6 (0.57) | HDAC6HDAC3HDAC1HDAC7HDAC2 | |
| SCHEMBL26085552 | 0.69 | USP2 (0.47) | HDAC6POLBHPGDMAPTMEN1 | |
| SCHEMBL21570108 | 0.68 | POLB (0.42) | POLBMAPTEGLN1MEN1KMT2A | |
| SCHEMBL3440252 | 0.67 | ALDH1A1 (0.67) | HDAC6POLBMAPTMEN1KMT2A |
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-20170008913-A1 | CONDENSED [1,4] DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2017-01-12 | — | — | 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-20170008913-A1 | CONDENSED [1,4] DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | LPAR1, ENPP2, LPCAT1 | HDAC6 718/4885HDAC3 1122/4885HDAC1 387/4885 |
“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.