Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MME | P08473 | 1/20 | 0.30 |
| ▸ | ACE | P12821 | 1/20 | 0.30 |
| ▸ | CPA1 | P15085 | 1/20 | 0.30 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL67050 | 1.00 | CTSS (0.38) | CTSSCTSKAAK1MMP13KMT2A | |
| SCHEMBL31703376 | 1.00 | CTSS (0.38) | CTSSCTSKAAK1MMP13KMT2A | |
| SCHEMBL67051 | 1.00 | CTSS (0.38) | CTSSCTSKAAK1MMP13KMT2A | |
| SCHEMBL27645074 | 1.00 | CTSS (0.38) | CTSSCTSKAAK1MMP13KMT2A | |
| SCHEMBL1486202 | 1.00 | CTSS (0.38) | CTSSCTSKAAK1MMP13KMT2A | |
| SCHEMBL8460615 | 0.87 | CA2 (0.34) | CTSSCTSKAAK1MMP13KMT2A | |
| SCHEMBL10273899 | 0.87 | AAK1 (0.32) | AAK1MMP13KMT2AMEN1GAA | |
| SCHEMBL28760575 | 0.85 | CTSS (0.38) | CTSSCTSKKMT2AMEN1GAA | |
| SCHEMBL11661957 | 0.85 | CTSS (0.38) | CTSSCTSKKMT2AMEN1GAA | |
| SCHEMBL11661955 | 0.85 | CTSS (0.38) | CTSSCTSKKMT2AMEN1GAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2283009-A1 | INHIBITORS OF JNK | F. Hoffmann-La Roche AG (CH) | 2011-02-16 | — | — | EP | claimed |
| WO-2009138340-A1 | INHIBITORS OF JNK | F. HOFFMANN-LA ROCHE AG (CH) | 2009-11-19 | — | — | WO | claimed |
| CN-102037092-A | Amino acid generator and polysiloxane composition containing the same | NISSAN CHEMICAL IND LTD | 2011-04-27 | — | — | CN | disclosed |
| EP-2283009-A1 | INHIBITORS OF JNK | F. Hoffmann-La Roche AG (CH) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009138340-A1 | INHIBITORS OF JNK | F. HOFFMANN-LA ROCHE AG (CH) | 2009-11-19 | — | — | WO | disclosed |