Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRCP | P42785 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.32 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.32 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.32 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.32 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.31 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28778637 | 1.00 | PRCP (0.35) | PRCPHRH4HRH3CHRNA7SLC6A1 | |
| Trifluoroacetic Acid SCHEMBL28778749 | 1.00 | PRCP (0.35) | PRCPHRH4HRH3CHRNA7SLC6A1 | |
| SCHEMBL24510485 | 0.85 | — | — | |
| SCHEMBL13986819 | 0.85 | — | — | |
| SCHEMBL24510486 | 0.85 | — | — | |
| SCHEMBL24509726 | 0.85 | — | — | |
| SCHEMBL12499651 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL4806967 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL4806973 | 0.83 | — | — | |
| Trifluoroacetic Acid SCHEMBL31521301 | 0.77 | PRCP (0.40) | PRCPHRH4HRH3SLC6A1GABRA5 |
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-115003673-A | Dihydropyrimidine compound, and preparation method and application thereof | 上海维申医药有限公司 | 2022-09-02 | — | — | CN | disclosed |
| WO-2022121844-A1 | DIHYDROPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 上海维申医药有限公司 | 2022-06-16 | — | — | WO | disclosed |
| CN-114621219-A | Dihydropyrimidine compound, and preparation method and application thereof | 上海维申医药有限公司 | 2022-06-14 | — | — | CN | disclosed |