Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8166973 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP2A6UHRF1KDM1AKDM1B | |
| SCHEMBL8166969 | 0.86 | CYP1A2 (0.52) | CYP1A2CYP2A6UHRF1 | |
| SCHEMBL8167276 | 0.86 | CYP1A2 (0.52) | CYP1A2CYP2A6UHRF1 | |
| SCHEMBL17336511 | 0.80 | — | — | |
| SCHEMBL20805401 | 0.77 | — | — | |
| SCHEMBL29826852 | 0.77 | — | — | |
| SCHEMBL17275770 | 0.77 | — | — | |
| SCHEMBL8167273 | 0.77 | CYP1A2 (0.44) | CYP1A2CYP2A6UHRF1 | |
| SCHEMBL8160370 | 0.77 | CYP1A2 (0.44) | CYP1A2CYP2A6UHRF1AGTR1 | |
| SCHEMBL8160371 | 0.77 | CYP1A2 (0.44) | CYP1A2CYP2A6UHRF1AGTR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |
| US-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |