Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.43 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.43 |
| ▸ | CHRNG | P07510 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19368180 | 1.00 | CYP2A6 (0.46) | CYP2A6GRIA2KCNH2CHRNB2CHRNA4 | |
| SCHEMBL24781634 | 0.85 | CYP2A6 (0.46) | CYP2A6CHRNB2CHRNA4CHRNA7ALDH1A1 | |
| SCHEMBL17084081 | 0.80 | MEN1 (0.43) | KCNH2CHRNA7 | |
| SCHEMBL17084067 | 0.80 | MEN1 (0.43) | KCNH2CHRNA7 | |
| SCHEMBL17084069 | 0.80 | MEN1 (0.43) | KCNH2CHRNA7 | |
| SCHEMBL19381889 | 0.80 | CYP2A6 (0.50) | CYP2A6CHRNB2CHRNA4CHRNA7ALDH1A1 | |
| SCHEMBL25005275 | 0.79 | CYP2A6 (0.58) | CYP2A6CHRNB2CHRNA4CHRNA7ALDH1A1 | |
| SCHEMBL25773900 | 0.79 | CYP2A6 (0.58) | CYP2A6CHRNB2CHRNA4CHRNA7ALDH1A1 | |
| SCHEMBL23993638 | 0.79 | CYP2A6 (0.58) | CYP2A6CHRNB2CHRNA4CHRNA7ALDH1A1 | |
| SCHEMBL21958664 | 0.78 | CYP2A6 (0.62) | CYP2A6CHRNB2CHRNA4CHRNA7ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3233858-B1 | ERK INHIBITORS | MERCK SHARP & DOHME (US) | 2019-10-30 | — | — | EP | disclosed |
| US-9884048-B2 | ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2018-02-06 | — | — | US | disclosed |
| US-20170266167-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-09-21 | — | — | 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-20170266167-A1 | ERK INHIBITORS | MAPK1, MAPK3, MAPK6 | CYP2A6 660/4885GRIA2 2735/4885KCNH2 4355/4885 |
“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.