Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPL | P40238 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 4/20 | 0.39 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.38 |
| ▸ | SORT1 | Q99523 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9078976 | 0.83 | KDM4E (0.40) | ALDH1A1HPGDKDM4EHSD17B10MEN1 | |
| SCHEMBL9041814 | 0.81 | NR4A1 (0.51) | ALDH1A1HPGDKDM4EHSD17B10CYP2C19 | |
| SCHEMBL9080057 | 0.81 | ALDH1A1 (0.41) | MPLALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL9077953 | 0.79 | CNR2 (0.40) | ALDH1A1HPGDKDM4EHSD17B10CYP2C19 | |
| SCHEMBL9077610 | 0.78 | ALDH1A1 (0.44) | ALDH1A1HPGDMEN1KMT2ACYP3A4 | |
| SCHEMBL9079543 | 0.78 | XDH (0.41) | ALDH1A1HPGDKDM4EHSD17B10MCL1 | |
| SCHEMBL9079015 | 0.74 | KDM4E (0.51) | ALDH1A1HPGDKDM4EHSD17B10MEN1 | |
| SCHEMBL9078240 | 0.74 | KDM4E (0.50) | ALDH1A1HPGDKDM4EHSD17B10MEN1 | |
| SCHEMBL9217742 | 0.73 | NR4A1 (0.43) | ALDH1A1HPGDKDM4EHSD17B10MEN1 | |
| SCHEMBL9041045 | 0.72 | CLK1 (0.42) | ALDH1A1KDM4EMEN1KMT2ALMNA |
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 4 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 |
| EP-0705250-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-04-10 | — | — | EP | 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 |