Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CMA1 | P23946 | 5/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12900215 | 0.83 | GABRA1 (0.46) | P2RX7SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL16701725 | 0.79 | SLC6A4 (0.39) | P2RX7SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL488379 | 0.79 | SLC6A4 (0.39) | P2RX7SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL19356887 | 0.79 | SLC6A4 (0.39) | P2RX7SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL488739 | 0.79 | PDK2 (0.41) | P2RX7SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL3166443 | 0.79 | TAAR1 (0.43) | P2RX7SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL27588706 | 0.78 | GABRA1 (0.40) | CYP2D6TAAR1LMNAGABRA1GABRB2 | |
| Hydrochloric Acid SCHEMBL2575776 | 0.78 | TAAR1 (0.42) | P2RX7SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL1541726 | 0.77 | TRPA1 (0.40) | P2RX7SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL27254254 | 0.76 | SLC6A4 (0.40) | P2RX7SLC6A4SLC6A2CYP2D6KCNH2 |
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-6544974-B2 | Treating atherosclerosis and other coronary artery diseases. | G.D. SEARLE & CO. | 2003-04-08 | — | — | US | claimed |