Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | DHODH | Q02127 | 3/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9217742 | 0.90 | NR4A1 (0.43) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL9041814 | 0.84 | NR4A1 (0.51) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL9080057 | 0.84 | ALDH1A1 (0.41) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL9039787 | 0.83 | MPL (0.42) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL9077953 | 0.82 | CNR2 (0.40) | KDM4EALDH1A1HPGDHSD17B10NR4A1 | |
| SCHEMBL9079543 | 0.81 | XDH (0.41) | KDM4EALDH1A1HPGDHSD17B10NR4A1 | |
| SCHEMBL9077610 | 0.81 | ALDH1A1 (0.44) | ALDH1A1HPGDMEN1KMT2APTPN1 | |
| SCHEMBL9079015 | 0.77 | KDM4E (0.51) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL9078240 | 0.77 | KDM4E (0.50) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL4960266 | 0.76 | KMT2A (0.44) | KDM4EALDH1A1MEN1KMT2ADHODH |
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 |