Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.47 |
| ▸ | KRAS | P01116 | 5/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | FNTA | P49354 | 2/20 | 0.43 |
| ▸ | FNTB | P49356 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | STAT6 | P42226 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL744780 | 0.92 | ABCB1 (0.51) | CA1CA2ABCB1KRASABCG2 | |
| SCHEMBL20858990 | 0.90 | MAPT (0.45) | CA1CA2ABCB1ABCG2MAPT | |
| SCHEMBL7028325 | 0.89 | ABCB1 (0.48) | CA1CA2ABCB1KRASABCG2 | |
| SCHEMBL20858978 | 0.89 | NFKB1 (0.48) | ABCB1ABCG2MAPTMEN1KMT2A | |
| SCHEMBL20858956 | 0.89 | MAPT (0.54) | ABCB1ATMMAPTTP53HSD17B10 | |
| SCHEMBL20858984 | 0.87 | CXCL12 (0.44) | CA1CA2ABCB1KRASABCG2 | |
| SCHEMBL20858960 | 0.85 | RAB9A (0.45) | ABCB1ALDH1A1SMN1; SMN2L3MBTL1MAPT | |
| SCHEMBL20858983 | 0.85 | ABCB1 (0.50) | ABCB1KRASABCG2L3MBTL1MAPT | |
| SCHEMBL20858982 | 0.85 | ABCB1 (0.48) | ABCB1ABCG2MAPT | |
| SCHEMBL20858996 | 0.85 | ABCB1 (0.51) | ABCB1ABCG2MAPT |
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-2429292-B1 | COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER | GEORGIA STATE UNIV RESEARCH FOUNDATION (US) | 2019-04-03 | — | — | EP | disclosed |