Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | DCTPP1 | Q9H773 | 3/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 3/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | PTAFR | P25105 | 2/20 | 0.39 |
| ▸ | TNKS | O95271 | 2/20 | 0.38 |
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 SCHEMBL15775376 | 0.99 | CYP2D6 (0.45) | CYP2D6CYP2C19DCTPP1HRH3HRH4 | |
| SCHEMBL15775445 | 0.99 | CYP2D6 (0.48) | CYP2D6CYP2C19DCTPP1HRH3HRH4 | |
| SCHEMBL15775400 | 0.86 | CYP2D6 (0.47) | CYP2D6CYP2C19DCTPP1HRH3HRH4 | |
| SCHEMBL15776267 | 0.80 | NOTUM (0.39) | CYP2C19PARP1TNKS | |
| SCHEMBL15775398 | 0.80 | RAB9A (0.40) | PARP1TNKS | |
| SCHEMBL15775397 | 0.78 | ACHE (0.40) | PARP1 | |
| SCHEMBL15775414 | 0.77 | SMN1; SMN2 (0.38) | PARP1TNKS | |
| SCHEMBL15775238 | 0.76 | PARP10 (0.39) | PARP1 | |
| SCHEMBL15775739 | 0.75 | TNKS (0.40) | PARP1TNKS | |
| SCHEMBL15775159 | 0.75 | PARP1 (0.36) | PARP1PTAFRTNKS |
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-2014087165-A1 | TANKYRASE INHIBITORS | UNIVERSITY OF BATH (GB) | 2014-06-12 | — | — | WO | disclosed |