Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 5/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 4/20 | 0.44 |
| ▸ | RORB | Q92753 | 1/20 | 0.43 |
| ▸ | KMO | O15229 | 2/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5145882 | 0.85 | KDM4E (0.67) | CYP2A6KDM4ETDP1ALDH1A1CYP1A2 | |
| SCHEMBL29575496 | 0.83 | MKNK1 (0.55) | CYP2A6KDM4ETDP1MKNK1MKNK2 | |
| Hydrochloric Acid SCHEMBL22719435 | 0.83 | KDM4E (0.65) | CYP2A6KDM4ETDP1ALDH1A1CYP1A2 | |
| SCHEMBL1571384 | 0.83 | MKNK1 (0.55) | CYP2A6KDM4ETDP1MKNK1MKNK2 | |
| SCHEMBL3263627 | 0.82 | KDM4E (0.65) | KDM4ETDP1ALDH1A1CYP3A4L3MBTL1 | |
| Nitrous Acid SCHEMBL28224285 | 0.80 | KDM4E (0.59) | CYP2A6KDM4ETDP1ALDH1A1CYP3A4 | |
| SCHEMBL38658131 | 0.76 | RAB9A (0.60) | CYP2A6KDM4EALDH1A1MKNK1MKNK2 | |
| SCHEMBL7430892 | 0.76 | CYP2A6 (0.48) | CYP2A6KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL31635952 | 0.74 | PTGS2 (0.64) | CYP2A6KDM4ETDP1ALDH1A1CYP1A2 | |
| SCHEMBL30032 | 0.74 | PTGS2 (0.64) | CYP2A6KDM4ETDP1ALDH1A1CYP1A2 |
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-1183239-A1 | AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR | G.D. SEARLE & CO. (US) | 2002-03-06 | — | — | EP | disclosed |
| WO-2000069821-A1 | AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR | G.D. SEARLE & CO. (US) | 2000-11-23 | — | — | WO | disclosed |