Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21778843 | 0.81 | POLB (0.46) | POLBCYP2D6HDAC3HDAC4HDAC7 | |
| SCHEMBL27555134 | 0.80 | POLB (0.48) | POLBCYP2D6HDAC3HDAC4HDAC7 | |
| SCHEMBL21758220 | 0.78 | POLB (0.43) | POLBCYP2D6HDAC3HDAC4HDAC7 | |
| SCHEMBL240153 | 0.77 | POLB (0.46) | POLBALDH1A1GAAHDAC3HDAC4 | |
| SCHEMBL27593730 | 0.77 | POLB (0.46) | POLBCYP2D6ALDH1A1HDAC3HDAC4 | |
| SCHEMBL31390251 | 0.77 | POLB (0.46) | POLBALDH1A1GAAHDAC3HDAC4 | |
| SCHEMBL3754584 | 0.77 | POLB (0.50) | POLBCYP2D6GAAHDAC3HDAC4 | |
| SCHEMBL17995090 | 0.76 | MAPT (0.38) | POLBALDH1A1TSHRMAPTKMT2A | |
| SCHEMBL27864062 | 0.75 | POLB (0.47) | POLBNPSR1ALDH1A1HDAC3HDAC4 | |
| SCHEMBL6910125 | 0.75 | POLB (0.43) | POLBALDH1A1GAAHDAC3HDAC4 |
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-6458760-B1 | COMPRISING ADMINISTERING TO SAID PATIENT A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND WHICH IS A SPECIFIC INHIBITOR OF EITHER CATHEPSIN B OR CATHEPSIN L, BUT WHICH IS NOT AS EFFECTIVE INHIBITOR OF CALPAIN | HENRY FORD HEALTH SYSTEM | 2002-10-01 | — | — | US | disclosed |