Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | ACHE | P22303 | 3/20 | 0.54 |
| ▸ | MAOA | P21397 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3081446 | 0.97 | PTGS2 (0.59) | PTGS2ACHEMAOACHRNA7KDM4E | |
| SCHEMBL662848 | 0.93 | ACHE (0.57) | PTGS2ACHEMAOACHRNA7 | |
| SCHEMBL354177 | 0.89 | KMT2A (0.56) | ACHEMAOAMEN1KMT2AKDM4E | |
| SCHEMBL29420326 | 0.89 | KMT2A (0.56) | ACHEMAOAMEN1KMT2AKDM4E | |
| SCHEMBL29420327 | 0.89 | KMT2A (0.56) | ACHEMAOAMEN1KMT2AKDM4E | |
| SCHEMBL6214359 | 0.89 | PTGS2 (0.47) | PTGS2ACHEMAOAMEN1KMT2A | |
| SCHEMBL1274990 | 0.87 | ACHE (0.54) | PTGS2ACHEMAOAMEN1KMT2A | |
| SCHEMBL1545375 | 0.87 | ACHE (0.54) | PTGS2ACHEMAOAMEN1KMT2A | |
| SCHEMBL9620643 | 0.83 | ACHE (0.54) | PTGS2ACHEMAOACHRNA7HSD17B1 | |
| SCHEMBL661560 | 0.83 | ACHE (0.54) | PTGS2ACHEMAOAMEN1KMT2A |
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-1603885-A1 | FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS | Abbott Laboratories (US) | 2005-12-14 | — | — | EP | disclosed |
| WO-2004080973-A1 | FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS | ABBOTT LABORATORIES (US) | 2004-09-23 | — | — | WO | disclosed |