Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | MMP8 | P22894 | 3/20 | 0.52 |
| ▸ | MLYCD | O95822 | 2/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | KDM4A | O75164 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | TACR1 | P25103 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6964063 | 0.92 | CYP2D6 (0.63) | CYP2D6CYP2C9CYP2C19KMT2ACNR1 | |
| Trifluoroacetic Acid SCHEMBL7101439 | 0.87 | CYP2D6 (0.60) | CYP2D6CYP2C9CYP2C19KMT2ACNR1 | |
| Trifluoroacetic Acid SCHEMBL27530667 | 0.86 | CYP2D6 (0.48) | CYP2D6CYP2C9CYP2C19KMT2ACNR1 | |
| SCHEMBL7955831 | 0.85 | CYP2D6 (0.50) | CYP2D6CYP2C9CYP2C19KMT2ACNR1 | |
| SCHEMBL24322367 | 0.83 | POLB (0.54) | CYP2D6CYP2C9CYP2C19KMT2ACNR1 | |
| SCHEMBL11710494 | 0.83 | POLB (0.54) | CYP2D6CYP2C9CYP2C19KMT2ACNR1 | |
| Trifluoroacetic Acid SCHEMBL7943506 | 0.78 | SMN1; SMN2 (0.51) | KMT2A | |
| Hydrochloric Acid SCHEMBL11100779 | 0.78 | CYP2D6 (0.63) | CYP2D6CYP2C9CYP2C19KMT2ACNR1 | |
| Trifluoroacetic Acid SCHEMBL7103734 | 0.78 | MLYCD (0.54) | CYP2D6CYP2C9CYP2C19KMT2AMLYCD | |
| Trifluoroacetic Acid SCHEMBL7943480 | 0.77 | KDM4E (0.49) | KMT2ACNR1POLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6333338-B1 | ANTICOAGULANTS, CARDIOVASCULAR DISORDERS | LABORATOIRE L. LAFON (FR) | 2001-12-25 | — | — | US | disclosed |