Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | ALDH3A1 | P30838 | 8/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5817327 | 1.00 | CA1 (0.50) | CA1CA2ALDH3A1ALDH1A1TP53 | |
| SCHEMBL5818698 | 0.79 | CA1 (0.49) | CA1CA2ALDH3A1ALDH1A1TP53 | |
| SCHEMBL685083 | 0.78 | CA1 (0.57) | CA1CA2ALDH3A1ALDH1A1TP53 | |
| SCHEMBL490223 | 0.76 | CA1 (0.55) | CA1CA2ALDH3A1ALDH1A1TP53 | |
| SCHEMBL490225 | 0.76 | CA1 (0.55) | CA1CA2ALDH3A1ALDH1A1TP53 | |
| SCHEMBL5819895 | 0.72 | CA1 (0.55) | CA1CA2ALDH3A1ALDH1A1TP53 | |
| SCHEMBL5819897 | 0.72 | CA1 (0.55) | CA1CA2ALDH3A1ALDH1A1TP53 | |
| SCHEMBL5472944 | 0.71 | KDR (0.61) | CA1CA2ALDH3A1ALDH1A1TP53 | |
| SCHEMBL5472939 | 0.71 | KDR (0.61) | CA1CA2ALDH3A1ALDH1A1TP53 | |
| SCHEMBL4575494 | 0.70 | KDR (0.63) | CA1CA2ALDH3A1ALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006105796-A1 | NOVEL INDOLINONE DERIVATIVES | LEO PHARMA A/S (DK) | 2006-10-12 | — | — | WO | disclosed |