Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14247269 | 0.90 | CA9 (0.49) | CA9CA2CA12CA1LMNA | |
| SCHEMBL1544642 | 0.80 | CA9 (0.40) | CA9CA2CA12CA1LMNA | |
| SCHEMBL28466542 | 0.79 | CA2 (0.48) | CA9CA2CA12CA1LMNA | |
| SCHEMBL16339779 | 0.78 | PPARA (0.42) | CA9CA2CA12CA1LMNA | |
| SCHEMBL16339781 | 0.78 | PPARA (0.42) | CA9CA2CA12CA1LMNA | |
| SCHEMBL28462214 | 0.77 | STAT3 (0.52) | CA9CA2CA12CA1STAT3 | |
| SCHEMBL6560342 | 0.77 | CA9 (0.48) | CA9CA2CA12CA1LMNA | |
| SCHEMBL28899391 | 0.75 | CA9 (0.47) | CA9CA2CA12CA1LMNA | |
| SCHEMBL28330380 | 0.75 | CA2 (0.49) | CA9CA2CA12CA1LMNA | |
| SCHEMBL2652533 | 0.73 | CYP2A6 (0.58) | LMNAALDH1A1CYP2A6CYP1A2CYP3A4 |
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-110498798-B | Microreactor series connection synthesis method of indole anticancer drug molecules | 复旦大学 | 2020-09-29 | — | — | CN | disclosed |