Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.37 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 2/20 | 0.36 |
| ▸ | CCR5 | P51681 | 2/20 | 0.36 |
| ▸ | CCR8 | P51685 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.35 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9078669 | 0.81 | MAPT (0.40) | KDM4EALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL9078694 | 0.81 | ALDH1A1 (0.47) | PARP1KDM4EPSMD14LMNAALDH1A1 | |
| SCHEMBL9077276 | 0.78 | MAPT (0.36) | PARP1LMNAHTTALDH1A1MEN1 | |
| SCHEMBL9080057 | 0.77 | ALDH1A1 (0.41) | PARP1KDM4EALDH1A1HSD17B10MEN1 | |
| SCHEMBL9214349 | 0.75 | MAPT (0.40) | KDM4EALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL9041814 | 0.74 | NR4A1 (0.51) | PARP1KDM4EALDH1A1HSD17B10MEN1 | |
| SCHEMBL9355371 | 0.74 | PARP1 (0.74) | PARP1KDM4EPSMD14COPS5CCR1 | |
| SCHEMBL9078240 | 0.73 | KDM4E (0.50) | PARP1KDM4ELMNAHTTALDH1A1 | |
| SCHEMBL9041045 | 0.73 | CLK1 (0.42) | PARP1KDM4ELMNAHTTALDH1A1 | |
| SCHEMBL9079080 | 0.72 | KDM4E (0.44) | PARP1KDM4ELMNAHTTALDH1A1 |
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 |