Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27413130 | 1.00 | CHRM2 (0.40) | CHRM2CHRM4CHRM1CHRM3CYP19A1 | |
| SCHEMBL27434841 | 0.81 | CHRM2 (0.39) | CHRM2CHRM4CHRM1CHRM3CYP19A1 | |
| SCHEMBL7297987 | 0.80 | L3MBTL1 (0.32) | — | |
| SCHEMBL9568980 | 0.80 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL16774678 | 0.79 | L3MBTL1 (0.31) | — | |
| SCHEMBL27356886 | 0.78 | CHRM2 (0.44) | CHRM2CHRM4CHRM1CHRM3 | |
| Hydrochloric Acid SCHEMBL2084227 | 0.77 | CHRM2 (0.42) | CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL27505359 | 0.77 | CHRM2 (0.42) | CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL3770125 | 0.77 | CHRM2 (0.42) | CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL29068676 | 0.75 | CHRM2 (0.41) | CHRM2CHRM4CHRM1CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111961114-A | Argatroban intermediate and preparation method and application thereof | 扬州中宝药业股份有限公司 | 2020-11-20 | — | — | CN | claimed |
| CN-111961114-A | Argatroban intermediate and preparation method and application thereof | 扬州中宝药业股份有限公司 | 2020-11-20 | — | — | CN | disclosed |
| CN-111961114-A | Argatroban intermediate and preparation method and application thereof | 扬州中宝药业股份有限公司 | 2020-11-20 | — | — | CN | disclosed |