Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | EED | O75530 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15082011 | 1.00 | ALDH1A1 (0.45) | ALDH1A1CYP2A13TACR1ATMDRD4 | |
| SCHEMBL15084377 | 0.87 | ALDH1A1 (0.54) | ALDH1A1CYP2A13TACR1ATMEED | |
| SCHEMBL15084375 | 0.87 | ALDH1A1 (0.54) | ALDH1A1CYP2A13TACR1ATMEED | |
| SCHEMBL807178 | 0.84 | EED (0.43) | ALDH1A1CYP2A13DRD4EEDPOLB | |
| SCHEMBL15081988 | 0.83 | KDM4E (0.57) | ALDH1A1CYP2A13ATMDRD4HRH4 | |
| SCHEMBL807389 | 0.81 | ALDH1A1 (0.49) | ALDH1A1CYP2A13TACR1ATMDRD4 | |
| SCHEMBL15081980 | 0.80 | EED (0.48) | EEDHRH4HRH3 | |
| SCHEMBL807398 | 0.79 | CYP2A13 (0.48) | ALDH1A1CYP2A13EEDPOLBKDM4E | |
| SCHEMBL15081936 | 0.78 | ALDH1A1 (0.56) | ALDH1A1TACR1ATMPOLBMAPK1 | |
| SCHEMBL17084169 | 0.78 | ALDH1A1 (0.56) | ALDH1A1TACR1ATMPOLBMAPK1 |
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 3 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 |
| WO-2012036997-A1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | SCHERING CORPORATION (US) | 2012-03-22 | — | — | 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-20130172341-A1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | MAPK1, MAPK3, MAP3K1 | ALDH1A1 781/4885CYP2A13 2675/4885TACR1 3520/4885 |
“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.