Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 4/20 | 0.45 |
| ▸ | CTSK | P43235 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP26A1 | O43174 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28265926 | 1.00 | CTSS (0.45) | CTSSCTSKCYP2C9CYP2C19HTT | |
| SCHEMBL27886474 | 1.00 | CTSS (0.45) | CTSSCTSKCYP2C9CYP2C19HTT | |
| SCHEMBL19744342 | 0.88 | CYP26A1 (0.53) | CTSSCTSKHTTRAB9AMEN1 | |
| SCHEMBL19744343 | 0.88 | CYP26A1 (0.53) | CTSSCTSKHTTRAB9AMEN1 | |
| SCHEMBL3447780 | 0.86 | CACNA1B (0.47) | CTSSCTSKHTTRAB9AMAPT | |
| SCHEMBL24198500 | 0.85 | CTSS (0.47) | CTSSCTSKHTTRAB9AMEN1 | |
| SCHEMBL5768896 | 0.85 | RAB9A (0.45) | HTTRAB9AMEN1KMT2AMAPT | |
| SCHEMBL3447675 | 0.85 | CTSS (0.45) | CTSSCTSKHTTRAB9AMEN1 | |
| SCHEMBL5862217 | 0.81 | CTSK (0.52) | CTSSCTSKHTTRAB9AMEN1 | |
| SCHEMBL31633773 | 0.81 | CTSK (0.52) | CTSSCTSKHTTRAB9AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109678859-B | Dihydropyrimidine compound and application thereof in medicine | 广东东阳光药业有限公司 | 2020-12-29 | — | — | CN | disclosed |
| CN-109678859-A | Dihydropyrimidines and its application in drug | 广东东阳光药业有限公司 | 2019-04-26 | — | — | CN | disclosed |