Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9080037 | 0.85 | DHODH (0.47) | KDM4EALDH1A1HPGDHSD17B10GAA | |
| SCHEMBL9080100 | 0.83 | CDC25B (0.46) | KDM4EALDH1A1HPGDHSD17B10CA12 | |
| SCHEMBL9041814 | 0.80 | NR4A1 (0.51) | KDM4EALDH1A1HPGDHSD17B10CDC25B | |
| SCHEMBL9080057 | 0.80 | ALDH1A1 (0.41) | KDM4EALDH1A1HPGDHSD17B10CA12 | |
| SCHEMBL5615708 | 0.79 | KDM4E (0.63) | KDM4EALDH1A1HPGDHSD17B10PDE10A | |
| SCHEMBL9077953 | 0.78 | CNR2 (0.40) | KDM4EALDH1A1HPGDHSD17B10CDC25B | |
| SCHEMBL9078976 | 0.77 | KDM4E (0.40) | KDM4EALDH1A1HPGDHSD17B10CDC25B | |
| SCHEMBL11281108 | 0.75 | ALDH1A1 (0.69) | KDM4EALDH1A1HPGDHSD17B10PDE10A | |
| SCHEMBL9079080 | 0.75 | KDM4E (0.44) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL16549385 | 0.75 | ALDH1A1 (0.56) | KDM4EALDH1A1HPGDHSD17B10PDE10A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5585382-A | ANTICARCINOGENIC AGENTS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-17 | — | — | US | disclosed |
| US-5416089-A | Antitumor agent | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-05-16 | — | — | US | disclosed |
| WO-1995000490-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-01-05 | — | — | WO | disclosed |