Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL28174093 | 0.85 | SLC6A3 (0.37) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL1665121 | 0.72 | SLC6A3 (0.48) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| Hydrochloric Acid SCHEMBL27963669 | 0.71 | SLC6A2 (0.39) | SLC6A3SLC6A2SLC6A4ALDH1A1LMNA | |
| SCHEMBL3433414 | 0.69 | SLC6A3 (0.37) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL27488208 | 0.68 | SLC6A3 (0.45) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| Hydrochloric Acid SCHEMBL7423286 | 0.67 | SLC6A3 (0.44) | SLC6A3SLC6A2SLC6A4ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL27963666 | 0.67 | FDPS (0.37) | ALDH1A1TSHR | |
| SCHEMBL15705099 | 0.65 | SLC6A3 (0.42) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL28744744 | 0.64 | CHRNB4 (0.41) | — | |
| SCHEMBL12962395 | 0.64 | CHRNB4 (0.41) | — |
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-2010015815-A2 | COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS | SUMMIT CORPORATION PLC (GB) | 2010-02-11 | — | — | WO | disclosed |