Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4489882 | 0.83 | — | — | |
| SCHEMBL4504385 | 0.83 | — | — | |
| SCHEMBL4489885 | 0.83 | — | — | |
| SCHEMBL5727853 | 0.83 | — | — | |
| SCHEMBL13686565 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL27664351 | 0.80 | CYP2C9 (0.38) | CYP2C9TSHRCYP2C19TDP1 | |
| SCHEMBL92546 | 0.76 | — | — | |
| SCHEMBL84466 | 0.76 | — | — | |
| SCHEMBL92532 | 0.76 | — | — | |
| SCHEMBL3653459 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005007641-A1 | 2-PYRIDINE ALKYNE DERIVATIVES USEFUL FOR TREATING PAIN | EURO-CELTIQUE S.A. (LU) | 2005-01-27 | — | — | WO | disclosed |