Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 2/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.45 |
| ▸ | HTR3B | O95264 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.45 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SCD | O00767 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13449657 | 0.98 | CA1 (0.50) | CA1CA2CA9CA7CA12 | |
| SCHEMBL15092785 | 0.80 | SCD (0.40) | CA1CA2CA9CA7CA12 | |
| SCHEMBL13650681 | 0.79 | CA1 (0.47) | CA1CA2CA9CA7TP53 | |
| Methane SCHEMBL27888620 | 0.79 | LTA4H (0.45) | TP53TSHRTDP1PTGS2NPC1 | |
| SCHEMBL16748959 | 0.78 | CA1 (0.58) | CA1CA2CA9CA7CA12 | |
| SCHEMBL28797040 | 0.76 | CA1 (0.38) | CA1CA2CA9TP53CA5A | |
| Methane SCHEMBL28299316 | 0.76 | HTR3E (0.51) | CA1CA2CA9CA7NOS3 | |
| SCHEMBL13627721 | 0.75 | CA1 (0.40) | CA1CA2CA9TP53CA5A | |
| SCHEMBL13637585 | 0.75 | NQO1 (0.56) | TSHRSMN1; SMN2TDP1PTGS2KDM4E | |
| SCHEMBL14381288 | 0.74 | CYP2C9 (0.51) | CA1CA2CA9CA7CA12 |
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-107602658-B | A kind of ursol acid derivative and its preparation method and application of triazole modification | 福州大学 | 2019-05-10 | — | — | CN | disclosed |