Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | RORC | P51449 | 3/20 | 0.42 |
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 2/20 | 0.39 |
| ▸ | MMP3 | P08254 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7308041 | 0.91 | RORC (0.44) | HDAC1HDAC6HDAC3HDAC2RORC | |
| SCHEMBL7311907 | 0.90 | P2RX7 (0.41) | HDAC1HDAC6HDAC3HDAC2RORC | |
| SCHEMBL7308906 | 0.88 | MMP9 (0.51) | HDAC1HDAC6HDAC3HDAC2KDM1A | |
| SCHEMBL7308120 | 0.85 | OPRK1 (0.47) | HDAC1HDAC6HDAC3HDAC2KDM1A | |
| SCHEMBL7308117 | 0.81 | MMP1 (0.57) | RORCMMP1MMP3MMP7MMP9 | |
| SCHEMBL7303615 | 0.78 | SCN5A (0.49) | HDAC1HDAC6HDAC3HDAC2KDM1A | |
| SCHEMBL7305971 | 0.76 | MMP1 (0.40) | MMP1MMP3MMP9MMP2MMP8 | |
| SCHEMBL7308395 | 0.76 | MMP1 (0.48) | MMP1MMP3MMP9MMP2MMP8 | |
| SCHEMBL7304792 | 0.73 | MMP1 (0.60) | MMP1MMP3MMP9MMP2MMP8 | |
| SCHEMBL6331494 | 0.73 | HDAC1 (0.43) | HDAC1HDAC6HDAC3HDAC2RORC |
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-0780386-B1 | Matrix metalloprotease inhibitors | HOFFMANN LA ROCHE (CH) | 2002-10-02 | — | — | EP | disclosed |
| EP-0780386-A1 | Matrix metalloprotease inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 1997-06-25 | — | — | EP | disclosed |