Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.45 |
| ▸ | LTA4H | P09960 | 3/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | LPL | P06858 | 1/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL196071 | 0.82 | CYP2A6 (0.58) | CYP2A6CYP2B6CYP2E1KCNH2CYP17A1 | |
| SCHEMBL10839908 | 0.82 | ALDH1A1 (0.39) | LTA4HCYP3A4 | |
| SCHEMBL6056745 | 0.81 | CYP2A6 (0.65) | CYP2A6CYP2B6CYP2E1LTA4HKCNH2 | |
| SCHEMBL7247515 | 0.80 | MMP1 (0.30) | — | |
| SCHEMBL14465263 | 0.79 | ALDH1A1 (0.54) | CYP2A6CYP2B6CYP2E1LTA4HKCNH2 | |
| SCHEMBL14542299 | 0.79 | ESR2 (0.54) | CYP2A6CYP2B6CYP2E1LTA4HKCNH2 | |
| SCHEMBL7300800 | 0.76 | CYP2A6 (0.48) | CYP2A6CYP2B6CYP2E1LTA4HKCNH2 | |
| SCHEMBL4613525 | 0.76 | CYP2A6 (0.47) | CYP2A6CYP2B6CYP2E1KCNH2CYP17A1 | |
| SCHEMBL4310665 | 0.75 | LTA4H (0.52) | CYP2A6CYP2B6CYP2E1LTA4HKCNH2 | |
| SCHEMBL27989815 | 0.74 | CYP2A6 (0.74) | CYP2A6CYP2B6CYP2E1KCNH2CYP17A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1177821-C | Matrix metalloprotease inhibitors | - | 2004-12-01 | — | — | CN | claimed |
| EP-0780386-B1 | Matrix metalloprotease inhibitors | HOFFMANN LA ROCHE (CH) | 2002-10-02 | — | — | EP | claimed |
| 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 | claimed |
| CN-1160045-A | Matrix metalloprotease inhibitors | HOFFMANN LA ROCHE (CH) | 1997-09-24 | — | — | CN | claimed |
| EP-0780386-A1 | Matrix metalloprotease inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 1997-06-25 | — | — | EP | claimed |
| CN-1177821-C | Matrix metalloprotease inhibitors | - | 2004-12-01 | — | — | CN | disclosed |
| 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 |
| CN-1160045-A | Matrix metalloprotease inhibitors | HOFFMANN LA ROCHE (CH) | 1997-09-24 | — | — | CN | disclosed |
| EP-0780386-A1 | Matrix metalloprotease inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 1997-06-25 | — | — | EP | disclosed |