Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 12/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20395027 | 1.00 | HDAC1 (0.57) | HDAC1HDAC6CYP19A1MAPTHTT | |
| SCHEMBL3460275 | 0.83 | HDAC1 (0.64) | HDAC1HDAC6CYP19A1 | |
| SCHEMBL3754518 | 0.83 | HDAC1 (0.64) | HDAC1HDAC6CYP19A1 | |
| SCHEMBL6309539 | 0.81 | HDAC1 (0.68) | HDAC1HDAC6CYP19A1MAPTHTT | |
| SCHEMBL31249943 | 0.81 | HDAC1 (0.60) | HDAC1HDAC6CYP19A1MAPTHTT | |
| SCHEMBL17159812 | 0.80 | CYP19A1 (0.80) | HDAC1HDAC6CYP19A1 | |
| SCHEMBL3235365 | 0.77 | CYP19A1 (0.69) | HDAC1HDAC6CYP19A1 | |
| SCHEMBL599174 | 0.76 | HDAC1 (0.70) | HDAC1HDAC6CYP19A1MAPT | |
| SCHEMBL772755 | 0.76 | NOS3 (0.59) | HDAC1HDAC6MAPTHTTTNIK | |
| SCHEMBL772754 | 0.76 | NOS3 (0.59) | HDAC1HDAC6MAPTHTTTNIK |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2250165-B1 | TRIAZOLE OXADIAZOLES DERIVATIVES | MERCK SERONO SA (CH) | 2018-07-25 | — | — | EP | disclosed |
| EP-2440554-B1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | MERCK SERONO SA (CH) | 2016-10-05 | — | — | EP | disclosed |
| US-8802663-B2 | Pyrazole oxadiazole derivatives as S1P1 agonists | MERCK SERONO SA (CH) | 2014-08-12 | — | — | US | disclosed |
| US-20120071460-A1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | MERCK SERONO SA (CH) | 2012-03-22 | — | — | US | disclosed |
| EP-2250165-A1 | TRIAZOLE OXADIAZOLES DERIVATIVES | Merck Serono S.A. (CH) | 2010-11-17 | — | — | EP | disclosed |
| WO-2009080663-A1 | TRIAZOLE OXADIAZOLES DERIVATIVES | MERCK SERONO S.A. (CH) | 2009-07-02 | — | — | 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 (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-20120071460-A1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | S1PR1, S1PR3, S1PR2 | HDAC1 1070/4885HDAC6 2167/4885CYP19A1 2405/4885 |
“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.