Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 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 | |
|---|---|---|---|---|
| SCHEMBL15081995 | 0.92 | ALDH1A1 (0.56) | ALDH1A1KDM4ELMNASMN1; SMN2NPSR1 | |
| SCHEMBL15084315 | 0.84 | ALDH1A1 (0.53) | ALDH1A1KDM4ELMNASMN1; SMN2NPSR1 | |
| SCHEMBL15081975 | 0.81 | TSHR (0.66) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL15081977 | 0.81 | TSHR (0.46) | ALDH1A1KDM4ESMN1; SMN2NPSR1MAPK1 | |
| SCHEMBL807183 | 0.81 | TSHR (0.66) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL23507365 | 0.78 | KDM4E (0.70) | ALDH1A1KDM4ELMNASMN1; SMN2NPSR1 | |
| SCHEMBL23507385 | 0.78 | LMNA (0.56) | ALDH1A1KDM4ELMNASMN1; SMN2NPSR1 | |
| SCHEMBL19844839 | 0.77 | LMNA (0.51) | ALDH1A1KDM4ELMNASMN1; SMN2KMT2A | |
| SCHEMBL807235 | 0.77 | KDM4E (0.68) | ALDH1A1KDM4ELMNASMN1; SMN2NPSR1 | |
| SCHEMBL31010255 | 0.77 | KDM4E (0.68) | ALDH1A1KDM4ELMNASMN1; SMN2NPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9242981-B2 | Fused pyrazole derivatives as novel ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-01-26 | — | — | US | disclosed |
| US-20130172341-A1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | MERCK SHARP & DOHME LLC | 2013-07-04 | — | — | 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-20130172341-A1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | MAPK1, MAPK3, MAP3K1 | ALDH1A1 781/4885KDM4E 3317/4885LMNA 4751/4885 |
“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.