Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | BLM | P54132 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3744305 | 0.89 | CYP2D6 (0.42) | CYP2D6LMNABLMALOX15TSHR | |
| SCHEMBL5550450 | 0.89 | CYP2D6 (0.42) | CYP2D6LMNABLMALOX15TSHR | |
| SCHEMBL5550447 | 0.89 | CYP2D6 (0.42) | CYP2D6LMNABLMALOX15TSHR | |
| SCHEMBL3830250 | 0.89 | CYP2D6 (0.42) | CYP2D6LMNABLMALOX15TSHR | |
| Hydrochloric Acid SCHEMBL7992603 | 0.87 | CYP2D6 (0.41) | CYP2D6LMNABLMALOX15TSHR | |
| Trifluoroacetic Acid SCHEMBL6073376 | 0.79 | DPP4 (0.36) | MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL27148944 | 0.74 | KDM1A (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL20745641 | 0.74 | KDM1A (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL3591398 | 0.73 | CYP2C19 (0.38) | CYP2D6LMNABLMALOX15TSHR | |
| Trifluoroacetic Acid SCHEMBL15129586 | 0.73 | CYP2C19 (0.38) | CYP2D6LMNABLMALOX15TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1523483-A4 | AMINO-BICYCLIC PYRAZINONES AND PYRIDINONES AS COAGULATION SERINE PROTEASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2006-03-08 | — | — | EP | disclosed |
| EP-1523483-A2 | AMINO-BICYCLIC PYRAZINONES AND PYRIDINONES AS COAGULATION SERINE PROTEASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2005-04-20 | — | — | EP | disclosed |
| WO-2004002405-A2 | AMINO-BICYCLIC PYRAZINONES AND PYRIDINONES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-01-08 | — | — | WO | disclosed |