Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | CTSK | P43235 | 9/20 | 0.49 |
| ▸ | CTSS | P25774 | 4/20 | 0.49 |
| ▸ | CTSL | P07711 | 4/20 | 0.46 |
| ▸ | CTSB | P07858 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7302654 | 1.00 | CA2 (0.52) | CA2MMP13CTSKCTSSCTSL | |
| SCHEMBL7309215 | 0.85 | PPARA (0.55) | CA2MMP13CTSKCTSSCASP1 | |
| SCHEMBL7309224 | 0.85 | PPARA (0.55) | CA2MMP13CTSKCTSSCASP1 | |
| SCHEMBL7303933 | 0.81 | MMP13 (0.76) | MMP13CTSKCTSSCTSLCTSB | |
| SCHEMBL7303925 | 0.81 | MMP13 (0.76) | MMP13CTSKCTSSCTSLCTSB | |
| SCHEMBL4673137 | 0.80 | MMP13 (0.49) | MMP13CTSKCTSSCTSLCTSB | |
| SCHEMBL4673130 | 0.80 | MMP13 (0.49) | MMP13CTSKCTSSCTSLCTSB | |
| SCHEMBL6576404 | 0.76 | KYNU (0.58) | CA2MMP13CTSKCTSSCTSL | |
| SCHEMBL4968729 | 0.76 | KYNU (0.58) | CA2MMP13CTSKCTSSCTSL | |
| SCHEMBL7564546 | 0.76 | KYNU (0.58) | CA2MMP13CTSKCTSSCTSL |
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 3 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 |
| US-5932595-A | ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT | SYNTEX (U.S.A.) INC. (US) | 1999-08-03 | — | — | US | disclosed |
| EP-0780386-A1 | Matrix metalloprotease inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 1997-06-25 | — | — | EP | disclosed |