Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.45 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | CTSS | P25774 | 8/20 | 0.40 |
| ▸ | CTSK | P43235 | 7/20 | 0.40 |
| ▸ | CTSB | P07858 | 2/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.39 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19924836 | 1.00 | KLK5 (0.45) | KLK5ACEHDAC6HDAC1CTSS | |
| SCHEMBL30916055 | 0.84 | KLK5 (0.47) | KLK5ACEHDAC6HDAC1CTSS | |
| SCHEMBL30150579 | 0.84 | SIRT2 (0.48) | KLK5ACEHDAC6HDAC1CTSS | |
| SCHEMBL4193916 | 0.84 | SIRT2 (0.48) | KLK5ACEHDAC6HDAC1CTSS | |
| SCHEMBL19924784 | 0.84 | ALDH1A1 (0.53) | CTSSCTSKCTSBCTSLTACR1 | |
| SCHEMBL2545349 | 0.80 | TRPV1 (0.43) | KLK5ACECTSSCTSKTACR1 | |
| SCHEMBL2545351 | 0.80 | TRPV1 (0.43) | KLK5ACECTSSCTSKTACR1 | |
| SCHEMBL2819481 | 0.79 | PPARA (0.57) | ACECTSSCTSK | |
| SCHEMBL2819484 | 0.79 | PPARA (0.57) | ACECTSSCTSK | |
| SCHEMBL16464699 | 0.79 | HDAC6 (0.60) | KLK5ACEHDAC6HDAC1CTSS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018042343-A2 | COMPOUNDS THAT INHIBIT 3C AND 3CL PROTEASES AND METHODS OF USE THEREOF | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2018-03-08 | — | — | WO | disclosed |