Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.65 |
| ▸ | CASP3 | P42574 | 1/20 | 0.55 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.55 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.55 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.55 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | MMP1 | P03956 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | MMP8 | P22894 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
| ▸ | DDX3X | O00571 | 1/20 | 0.48 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1027384 | 1.00 | ALDH1A1 (0.65) | ALDH1A1CASP3SENP8SENP7SENP6 | |
| SCHEMBL1026805 | 0.82 | MEN1 (0.47) | ALDH1A1KMT2APKMMAPTMEN1 | |
| SCHEMBL1026804 | 0.82 | MEN1 (0.47) | ALDH1A1KMT2APKMMAPTMEN1 | |
| SCHEMBL1028228 | 0.82 | POLB (0.58) | ALDH1A1KMT2APKMCA1CA2 | |
| SCHEMBL2453170 | 0.81 | TP53 (0.49) | ALDH1A1CASP3SENP8SENP7SENP6 | |
| SCHEMBL2453168 | 0.81 | TP53 (0.49) | ALDH1A1CASP3SENP8SENP7SENP6 | |
| SCHEMBL1025444 | 0.79 | CASP3 (0.67) | ALDH1A1CASP3SENP8SENP7SENP6 | |
| SCHEMBL1025441 | 0.79 | CASP3 (0.67) | ALDH1A1CASP3SENP8SENP7SENP6 | |
| SCHEMBL1026082 | 0.79 | MEN1 (0.63) | ALDH1A1KMT2APKMALOX5MAPT | |
| SCHEMBL1026084 | 0.79 | MEN1 (0.63) | ALDH1A1KMT2APKMALOX5MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2274288-A2 | MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | Incyte Corporation (US) | 2011-01-19 | — | — | EP | disclosed |