Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6063113 | 0.70 | FOLH1 (0.36) | BACE1TAAR1POLBMAPTNPC1 | |
| SCHEMBL11141720 | 0.62 | HDAC6 (0.77) | HDAC6HDAC1HDAC3HDAC2HDAC4 | |
| SCHEMBL2188007 | 0.62 | HDAC6 (0.56) | HDAC6HDAC1HDAC3HDAC2HDAC4 | |
| SCHEMBL10891649 | 0.62 | NPC1 (0.58) | HDAC6HDAC1HDAC3HDAC2HDAC4 | |
| SCHEMBL18961359 | 0.61 | HCRTR2 (0.40) | HCRTR1HCRTR2MAPT | |
| SCHEMBL14229247 | 0.60 | GRIN2D (0.51) | HDAC6HDAC1HDAC3HDAC2TP53 | |
| SCHEMBL13911260 | 0.60 | ALDH1A1 (0.58) | HDAC6HDAC1HDAC3HDAC2HDAC4 | |
| SCHEMBL9784525 | 0.59 | HDAC6 (0.61) | HDAC6HDAC1HDAC3HDAC2HDAC4 | |
| SCHEMBL4012599 | 0.59 | HDAC6 (0.56) | HDAC6HDAC1HDAC3HDAC2HDAC4 | |
| SCHEMBL10952094 | 0.59 | PKM (0.47) | HDAC6HDAC1HDAC3HDAC2HDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1694357-A1 | USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC | AXYS PHARMACEUTICALS, INC. (US) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005058348-A1 | USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC | AXYS PHARMACEUTICALS, INC. (US) | 2005-06-30 | — | — | WO | disclosed |