Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 18/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.65 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.65 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.65 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.65 |
| ▸ | ADRB2 | P07550 | 5/20 | 0.65 |
| ▸ | ADRB3 | P13945 | 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 | |
|---|---|---|---|---|
| SCHEMBL7560544 | 1.00 | CASR (0.65) | CASRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7560533 | 1.00 | CASR (0.65) | CASRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7560527 | 0.86 | CASR (0.69) | CASRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7563669 | 0.84 | CASR (0.48) | CASRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7607141 | 0.84 | CASR (0.71) | CASRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6863014 | 0.82 | CASR (0.62) | CASRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6863019 | 0.82 | CASR (0.62) | CASRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL7606278 | 0.82 | CASR (0.70) | CASRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL7606286 | 0.82 | CASR (0.70) | CASRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6862107 | 0.82 | CASR (0.61) | CASRCYP2D6SLC6A2SLC6A4SLC6A3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002072760-A2 | PCRA HELICASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2002-09-19 | — | — | WO | claimed |
| WO-2002072760-A2 | PCRA HELICASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2002-09-19 | — | — | WO | disclosed |