Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15084343 | 0.83 | OPRM1 (0.46) | ALDH1A1TSHRKMT2ALMNAKDM4E | |
| SCHEMBL10210803 | 0.81 | ALDH1A1 (0.39) | ALDH1A1ATMCYP2A13TSHRL3MBTL1 | |
| SCHEMBL7121079 | 0.79 | ALDH1A1 (0.51) | ALDH1A1ATMCYP2A13KMT2ANPSR1 | |
| SCHEMBL807486 | 0.79 | ALDH1A1 (0.51) | ALDH1A1ATMCYP2A13KMT2ANPSR1 | |
| SCHEMBL5961903 | 0.77 | AGTR2 (0.43) | ALDH1A1ATMKMT2AKDM4EAGTR2 | |
| SCHEMBL15240176 | 0.77 | AGTR2 (0.43) | ALDH1A1ATMKMT2AKDM4EAGTR2 | |
| SCHEMBL15084313 | 0.76 | MAPK1 (0.42) | ALDH1A1KMT2ALMNAKDM4ECYP3A4 | |
| SCHEMBL15248175 | 0.76 | SLC6A3 (0.48) | ALDH1A1NPSR1 | |
| SCHEMBL19013824 | 0.73 | ALDH1A1 (0.45) | ALDH1A1ATMCYP2A13KMT2ANPSR1 | |
| SCHEMBL19013829 | 0.72 | ALDH1A1 (0.41) | ALDH1A1ATMCYP2A13KMT2ALMNA |
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 781/4885ATM 307/4885CYP2A13 2675/4885 |
“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.