Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.31 |
| ▸ | KCNN4 | O15554 | 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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL29410989 | 0.88 | SCN5A (0.32) | KIF11 | |
| Tetrabuthylammonium SCHEMBL17205432 | 0.88 | SCN5A (0.32) | KIF11 | |
| Tetrabuthylammonium SCHEMBL125867 | 0.88 | SCN5A (0.32) | KIF11 | |
| Tetrabuthylammonium SCHEMBL18094600 | 0.84 | — | — | |
| Cetalkonium SCHEMBL25413846 | 0.83 | DNM1 (0.48) | KIF11CYP3A4KCNH2 | |
| Cetalkonium SCHEMBL31148288 | 0.83 | DNM1 (0.48) | KIF11CYP3A4KCNH2 | |
| SCHEMBL5143617 | 0.81 | KCNN4 (0.36) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Tetramethylammonium Ion SCHEMBL3362588 | 0.78 | KIF11 (0.37) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Tetramethylammonium Ion SCHEMBL2428731 | 0.78 | KIF11 (0.44) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL26071699 | 0.75 | KCNN4 (0.38) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1105368-B1 | PHOTOACTIVATABLE BASES CONTAINING NITROGEN | CIBA SC HOLDING AG (CH) | 2002-10-30 | — | — | EP | disclosed |