Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA9 | Q16790 | 3/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27985616 | 0.95 | CA12 (0.50) | CA12CA1CA2CA9USP2 | |
| SCHEMBL27985617 | 0.85 | CA12 (0.51) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL27715083 | 0.80 | NPC1 (0.59) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL28511516 | 0.77 | AURKA (0.48) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL30713077 | 0.77 | AURKA (0.48) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL16050447 | 0.75 | MEN1 (0.54) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL4924103 | 0.74 | NPC1 (0.53) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL10952879 | 0.74 | GAA (0.50) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL29768237 | 0.74 | GAA (0.50) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL11250823 | 0.74 | MEN1 (0.56) | CA12CA1CA2CA9NPC1 |
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-104230734-B | Synthesis method for alpha-alkylation by visible light catalysis of secondary amine | 中国科学院理化技术研究所 | 2016-06-29 | — | — | CN | disclosed |