Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.41 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | PAK4 | O96013 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | RET | P07949 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | FLT1 | P17948 | 1/20 | 0.41 |
| ▸ | LTK | P29376 | 1/20 | 0.41 |
| ▸ | GRK5 | P34947 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | CLK2 | P49760 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1612382 | 0.80 | CYP2A6 (0.50) | CYP2A6CHEK1AURKADAPK3PRKD3 | |
| SCHEMBL22166377 | 0.74 | DYRK1A (0.37) | CYP2A6CHEK1AURKADAPK3PRKD3 | |
| SCHEMBL13962344 | 0.72 | CYP2A6 (0.67) | CYP2A6CHEK1AURKADAPK3PRKD3 | |
| SCHEMBL12064452 | 0.70 | CYP2A6 (0.69) | CYP2A6CHEK1AURKADAPK3PRKD3 | |
| SCHEMBL14579467 | 0.70 | — | — | |
| SCHEMBL23386421 | 0.69 | CNR1 (0.42) | ROCK1CNR1CNR2 | |
| SCHEMBL12689590 | 0.68 | CYP2A6 (0.51) | CYP2A6CHEK1AURKADAPK3PRKD3 | |
| SCHEMBL10471093 | 0.68 | CYP2A6 (0.59) | CYP2A6CHEK1AURKADAPK3PRKD3 | |
| SCHEMBL30711406 | 0.68 | CYP2A6 (0.55) | CYP2A6CHEK1AURKADAPK3PRKD3 | |
| SCHEMBL965562 | 0.68 | CYP2A6 (0.55) | CYP2A6CHEK1AURKADAPK3PRKD3 |
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-10870630-B2 | Substituted bicyclic heteroaryl allosteric modulators of nicotinic acetylcholine receptors | MERCK SHARP & DOHME CORP. | 2020-12-22 | — | — | US | disclosed |
| US-20190308945-A1 | SUBSTITUTED BICYCLIC HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2019-10-10 | — | — | 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 (2 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-10870630-B2 | Substituted bicyclic heteroaryl allosteric modulators of nicotinic acetylcholine receptors | CHRNA7, CHRNA5, CHRNA2 | CYP2A6 1104/4885CHEK1 1743/4885AURKA 3469/4885 |
| US-20190308945-A1 | SUBSTITUTED BICYCLIC HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | CHRNA7, CHRNA5, CHRNA2 | CYP2A6 1104/4885CHEK1 1743/4885AURKA 3469/4885 |
“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.