Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.48 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.48 |
| ▸ | KDR | P35968 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | WDR5 | P61964 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | HPN | P05981 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7686060 | 0.94 | EGFR (0.46) | EGFRFGFR1KDRMEN1KMT2A | |
| SCHEMBL7680584 | 0.93 | AKR1C3 (0.48) | EGFRFGFR1KDRMEN1KMT2A | |
| SCHEMBL7689333 | 0.91 | OPRM1 (0.47) | EGFRFGFR1KDRMEN1KMT2A | |
| SCHEMBL7661487 | 0.91 | EGFR (0.47) | EGFRFGFR1KDRMEN1KMT2A | |
| SCHEMBL7665441 | 0.90 | EGFR (0.46) | EGFRFGFR1KDRMEN1KMT2A | |
| SCHEMBL7564537 | 0.89 | CA2 (0.54) | CA2 | |
| SCHEMBL7682371 | 0.87 | FABP1 (0.46) | MEN1KMT2AMAPT | |
| SCHEMBL7694503 | 0.87 | KDR (0.43) | EGFRFGFR1KDRMEN1KMT2A | |
| SCHEMBL7427436 | 0.85 | AKR1C3 (0.45) | MEN1KMT2AHDAC8HDAC6HDAC2 | |
| SCHEMBL7682470 | 0.83 | ALDH1A1 (0.51) | MEN1KMT2AHDAC8HDAC6HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6436925-B1 | BETTER ABLE TO CROSS MEMBRANES; INHIBITORS OF CYSTEINE PROTEASES LIKE CALPAIN I AND II AND CATHEPSIN B AND L, CAN THUS BE USED TO CONTROL DISEASES ASSOCIATED WITH AN ELEVATED ACTIVITY OF CALPAIN ENZYMES OR CATHEPSIN ENZYMES | ABBOTT LABORATORIES | 2002-08-20 | — | — | US | disclosed |