Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | ANPEP | P15144 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7231566 | 0.99 | CYP1A2 (0.32) | CYP1A2HSD17B10CYP2C19CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL7230779 | 0.83 | GABRR1 (0.34) | CYP1A2HSD17B10CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL7834563 | 0.81 | GABRR1 (0.45) | GABRR1 | |
| Hydrochloric Acid SCHEMBL7232529 | 0.80 | GABRR1 (0.44) | GABRR1 | |
| Hydrochloric Acid SCHEMBL7233163 | 0.80 | GABRR1 (0.44) | GABRR1 | |
| SCHEMBL7230514 | 0.77 | BTK (0.37) | TSHR | |
| SCHEMBL7230862 | 0.77 | BTK (0.37) | TSHR | |
| SCHEMBL7821568 | 0.74 | ACHE (0.38) | — | |
| SCHEMBL7231122 | 0.74 | BTK (0.40) | — | |
| SCHEMBL7230501 | 0.72 | EPHX1 (0.36) | TSHRMAPK1 |
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-2001028979-A2 | INHIBITORS OF NEURAMINIDASES | ABBOTT LABORATORIES (US) | 2001-04-26 | — | — | WO | disclosed |