Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | CA9 | Q16790 | 4/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 4/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | ACKR3 | P25106 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28632385 | 1.00 | CA2 (0.47) | CA2CA9CA5ANOTUMKMT2A | |
| SCHEMBL28643460 | 0.88 | RAB9A (0.52) | CA2CA9CA5ANOTUMKMT2A | |
| SCHEMBL28637947 | 0.87 | P2RX7 (0.54) | CA2CA9NOTUMKMT2AMEN1 | |
| SCHEMBL28265446 | 0.87 | P2RX7 (0.54) | CA2CA9NOTUMKMT2AMEN1 | |
| SCHEMBL28053538 | 0.76 | ACKR3 (0.51) | CA2CA9CA5ANOTUMKMT2A | |
| SCHEMBL6996836 | 0.76 | CA12 (0.45) | CA2CA9KMT2AMEN1CYP1A2 | |
| SCHEMBL24569989 | 0.74 | P2RX7 (0.68) | CA2CA9CA5ANOTUMRXRA | |
| SCHEMBL28662823 | 0.72 | CA12 (0.41) | CA2CA9KMT2AMEN1CYP1A2 | |
| SCHEMBL28265447 | 0.72 | CA12 (0.41) | CA2CA9KMT2AMEN1CYP1A2 | |
| SCHEMBL20198841 | 0.71 | CA12 (0.46) | CA2CA9KMT2AMEN1CYP1A2 |
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-108997233-B | Synthesis method of (Z) -configuration alkenyl ester triazole compound | 陕西师范大学 | 2021-09-21 | — | — | CN | disclosed |