Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | ACE | P12821 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 6/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GBA1 | P04062 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15468337 | 0.82 | PER2 (0.40) | ACE | |
| SCHEMBL2145804 | 0.81 | CYP1A2 (0.40) | CYP1A2ACECHRNB2CHRNA7CHRNA4 | |
| SCHEMBL9568882 | 0.81 | GBA1 (0.43) | CYP1A2ACECHRNB2CHRNA7CHRNA4 | |
| SCHEMBL8602272 | 0.80 | GBA1 (0.45) | CYP1A2CHRNB2CHRNA7CHRNA4GBA1 | |
| SCHEMBL474124 | 0.80 | GBA1 (0.42) | CYP1A2ACECHRNB2CHRNA7CHRNA4 | |
| SCHEMBL3270939 | 0.80 | GBA1 (0.45) | CYP1A2CHRNB2CHRNA7CHRNA4GBA1 | |
| SCHEMBL6130819 | 0.80 | GBA1 (0.45) | CYP1A2CHRNB2CHRNA7CHRNA4GBA1 | |
| SCHEMBL6535779 | 0.80 | GBA1 (0.45) | CYP1A2CHRNB2CHRNA7CHRNA4GBA1 | |
| SCHEMBL9474303 | 0.80 | GBA1 (0.45) | CYP1A2CHRNB2CHRNA7CHRNA4GBA1 | |
| SCHEMBL3957901 | 0.80 | CYP1A2 (0.39) | CYP1A2ACECHRNB2CHRNA7CHRNA4 |
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-11718618-B2 | Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors | NEUROCRINE BIOSCIENCES, INC. (US) | 2023-08-08 | — | — | US | disclosed |
| US-20230159528-A1 | VMAT2 INHIBITORS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. | 2023-05-25 | — | — | 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-11718618-B2 | Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors | SLC18A2, SLC6A2, SLC18A1 | CYP1A2 210/4885ACE 2974/4885ACHE 2909/4885 |
| US-20230159528-A1 | VMAT2 INHIBITORS AND METHODS OF USE | SLC18A2, SLC6A3, SLC6A2 | CYP1A2 2246/4885ACE 3111/4885ACHE 2457/4885 |
“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.