Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.67 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.67 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 5/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7636939 | 0.95 | ESR1 (0.67) | ESR1ESR2RIPK1NAMPTDRD2 | |
| SCHEMBL1791230 | 0.92 | ESR1 (0.55) | ESR1ESR2RIPK1NAMPTDRD2 | |
| SCHEMBL29040775 | 0.83 | AKR1C3 (0.52) | ESR1ESR2NAMPTDRD2DRD3 | |
| SCHEMBL18701682 | 0.81 | HDAC6 (0.54) | ESR1ESR2RIPK1NAMPTDRD2 | |
| SCHEMBL8176145 | 0.80 | ESR2 (1.00) | ESR1ESR2DRD2DRD3ABHD6 | |
| SCHEMBL25206226 | 0.79 | ESR2 (0.76) | ESR1ESR2RIPK1AKR1C3AKR1C1 | |
| SCHEMBL3874010 | 0.79 | ESR2 (0.72) | ESR1ESR2NAMPTABHD6HDAC8 | |
| SCHEMBL419896 | 0.79 | ESR2 (0.72) | ESR1ESR2ABHD6HDAC8HDAC6 | |
| SCHEMBL4179872 | 0.79 | ESR2 (0.72) | ESR1ESR2ABHD6HDAC8HDAC6 | |
| SCHEMBL29963966 | 0.79 | ESR2 (0.72) | ESR1ESR2NAMPTABHD6HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-2440554-A1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | Merck Serono S.A. (CH) | 2012-04-18 | — | — | EP | disclosed |
| US-20120071460-A1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | MERCK SERONO SA (CH) | 2012-03-22 | — | — | US | disclosed |
| WO-2010142628-A1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | MERCK SERONO S.A. (CH) | 2010-12-16 | — | — | 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 | ESR1 1786/4885ESR2 978/4885RIPK1 844/4885 |
“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.