Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PKLR | P30613 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 8/20 | 0.40 |
| ▸ | HTR2C | P28335 | 7/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | FLT1 | P17948 | 1/20 | 0.37 |
| ▸ | FLT4 | P35916 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | HMGCR | P04035 | 1/20 | 0.36 |
| ▸ | CASR | P41180 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2244288 | 0.87 | CA2 (0.52) | CA2S1PR3ALDH1A1 | |
| SCHEMBL6968757 | 0.87 | CA2 (0.52) | CA2S1PR3ALDH1A1 | |
| SCHEMBL2244969 | 0.87 | CA2 (0.52) | CA2S1PR3ALDH1A1 | |
| SCHEMBL2246618 | 0.87 | CA2 (0.52) | CA2S1PR3ALDH1A1 | |
| SCHEMBL2252169 | 0.87 | CA2 (0.52) | CA2S1PR3ALDH1A1 | |
| SCHEMBL2243909 | 0.87 | CA2 (0.52) | CA2S1PR3ALDH1A1 | |
| SCHEMBL2247353 | 0.87 | CA2 (0.52) | CA2S1PR3ALDH1A1 | |
| SCHEMBL11805097 | 0.86 | HSD17B10 (0.47) | CA2S1PR3ALDH1A1HSD17B10FLT1 | |
| SCHEMBL11403365 | 0.84 | ALDH1A1 (0.40) | CA2METAP2S1PR3ALDH1A1HSD17B10 | |
| SCHEMBL22792700 | 0.83 | CA2 (0.67) | CA2EPHX2NR1H4CA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107922407-A | Respiratory Syncytial Virus(RSV) inhibitor | 美迪维尔公司 | 2018-04-17 | — | — | CN | disclosed |