Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.39 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 2/20 | 0.38 |
| ▸ | CTSS | P25774 | 3/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7310361 | 1.00 | PPARA (0.40) | PPARAPPARGCA12CA1CA7 | |
| SCHEMBL13762100 | 0.83 | CA12 (0.42) | PPARAPPARGCA12CA1CA7 | |
| SCHEMBL7299011 | 0.79 | TSHR (0.42) | TSHRCYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL7299014 | 0.79 | TSHR (0.42) | TSHRCYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL9574048 | 0.75 | AKT1 (0.41) | PPARAPPARGCA12CA1CA7 | |
| SCHEMBL9574045 | 0.75 | AKT1 (0.41) | PPARAPPARGCA12CA1CA7 | |
| SCHEMBL9574050 | 0.72 | CA12 (0.40) | PPARAPPARGCA12CA1CA7 | |
| SCHEMBL1880595 | 0.72 | CA12 (0.44) | PPARAPPARGCA12CA1CA7 | |
| Phenylacetaldehyde SCHEMBL28513708 | 0.72 | CA12 (0.44) | PPARAPPARGCA12CA1CA7 | |
| SCHEMBL7292665 | 0.72 | ATM (0.47) | CA12CA1CA7CA14ATM |
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 |