Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27518695 | 1.00 | MAPT (0.52) | MAPTKMT2ACYP2D6CYP1A2CYP2C19 | |
| SCHEMBL616620 | 0.82 | MAPT (0.53) | MAPTKMT2ACYP2D6CYP1A2CYP2C19 | |
| SCHEMBL28310656 | 0.81 | MAPT (0.52) | MAPTKMT2ACYP2D6CYP1A2CYP2C19 | |
| SCHEMBL13091889 | 0.77 | CYP1A2 (0.50) | MAPTKMT2ACYP2D6CYP1A2HIF1A | |
| SCHEMBL7880424 | 0.74 | CYP1A2 (0.53) | MAPTKMT2ACYP2D6CYP1A2CYP2C19 | |
| SCHEMBL28773023 | 0.74 | CYP1A2 (0.53) | MAPTKMT2ACYP2D6CYP1A2CYP2C19 | |
| SCHEMBL27535137 | 0.73 | CYP1A2 (0.44) | MAPTKMT2ACYP2D6CYP1A2CYP2C19 | |
| SCHEMBL29253368 | 0.72 | MAPT (0.55) | MAPTKMT2ACYP2D6CYP1A2CYP2C19 | |
| SCHEMBL10451736 | 0.72 | AOC3 (0.53) | MAPTKMT2ACYP2D6CYP1A2HIF1A | |
| SCHEMBL1706265 | 0.71 | MAPT (0.65) | MAPTKMT2ACYP2D6CYP1A2CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6448254-B1 | INHIBITORS OF ENZYMES, IN PARTICULAR CYSTEINE PROTEASES, SUCH AS CALPAIN AND ITS ISOENZYMES AND CATHEPSINS | ABBOTT LABORATORIES | 2002-09-10 | — | — | US | disclosed |
| CN-1297432-A | Substd. amides, their production and their use | BASF AG (DE) | 2001-05-30 | — | — | CN | disclosed |