Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.44 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7212096 | 0.84 | MMP8 (0.47) | CASP1KDM4EALDH1A1POLBHPGD | |
| SCHEMBL2703944 | 0.84 | ALOX5AP (0.46) | KDM4EALDH1A1POLBHPGDCHRM1 | |
| SCHEMBL4629540 | 0.83 | ALOX5AP (0.50) | HPGDALOX5APFEN1 | |
| SCHEMBL7603506 | 0.83 | KDM4E (0.38) | CASP1KDM4EALDH1A1POLBHPGD | |
| Bromide SCHEMBL7514738 | 0.83 | ALOX5AP (0.41) | CASP1KDM4EALDH1A1POLBHPGD | |
| SCHEMBL5592399 | 0.82 | APEX1 (0.47) | CASP1ALDH1A1APEX1 | |
| SCHEMBL4629650 | 0.81 | ALOX5AP (0.52) | ALOX5APFEN1 | |
| SCHEMBL8997320 | 0.81 | HDAC1 (0.45) | CASP1ALDH1A1APEX1ALOX5APFEN1 | |
| SCHEMBL29386971 | 0.80 | KDM4E (0.43) | KDM4EALDH1A1POLBHPGDPTGS2 | |
| SCHEMBL2704545 | 0.80 | ALOX5AP (0.48) | CASP1KDM4EALDH1A1POLBHPGD |
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-0939628-B1 | THIOL SULFONE METALLOPROTEASE INHIBITORS | MONSANTO CO (US) | 2003-03-05 | — | — | EP | disclosed |
| US-6013649-A | BOND DISORDERS; AUTOIMMUNE DISEASES; ANTITUMOR AGENTS | MONSANTO COMPANY (US) | 2000-01-11 | — | — | US | disclosed |
| EP-0939628-A4 | THIOL SULFONE METALLOPROTEASE INHIBITORS | MONSANTO CO (US) | 1999-12-22 | — | — | EP | disclosed |
| EP-0939628-A1 | THIOL SULFONE METALLOPROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1999-09-08 | — | — | EP | disclosed |
| WO-1998003164-A1 | THIOL SULFONE METALLOPROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1998-01-29 | — | — | WO | disclosed |