Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 8/20 | 0.46 |
| ▸ | S1PR5 | Q9H228 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | GRK5 | P34947 | 1/20 | 0.42 |
| ▸ | CDK8 | P49336 | 1/20 | 0.42 |
| ▸ | EED | O75530 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15084388 | 0.89 | CD274 (0.45) | KDM4EL3MBTL1MEN1KMT2A | |
| SCHEMBL15084389 | 0.86 | ALDH1A1 (0.46) | ALDH1A1KDM4ETSHRTDP1L3MBTL1 | |
| SCHEMBL807604 | 0.85 | ALDH1A1 (0.50) | S1PR1S1PR5ALDH1A1KDM4ETDP1 | |
| SCHEMBL10212863 | 0.85 | S1PR5 (0.47) | S1PR1S1PR5ALDH1A1KDM4ETSHR | |
| SCHEMBL18360682 | 0.84 | ALDH1A1 (0.45) | S1PR1S1PR5ALDH1A1KDM4ETSHR | |
| SCHEMBL15084365 | 0.84 | HRH3 (0.51) | ALDH1A1KDM4ETSHREEDPOLB | |
| SCHEMBL15084376 | 0.78 | L3MBTL1 (0.44) | ALDH1A1KDM4ETSHRTDP1L3MBTL1 | |
| SCHEMBL15084390 | 0.78 | EED (0.43) | ALDH1A1KDM4ETSHREEDMEN1 | |
| SCHEMBL18360692 | 0.77 | CYP2A13 (0.56) | ALDH1A1KDM4ETSHRTDP1L3MBTL1 | |
| SCHEMBL15084355 | 0.77 | EED (0.56) | EED |
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 | S1PR1 1937/4885S1PR5 2678/4885ALDH1A1 781/4885 |
“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.