Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKDC | P78527 | 3/20 | 0.48 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14347532 | 0.89 | CYP1A2 (0.50) | PRKDCCYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL14347473 | 0.88 | PRKDC (0.59) | PRKDCP2RY12MAOBSIGMAR1 | |
| SCHEMBL14374434 | 0.84 | PRKDC (0.49) | PRKDCP2RY12MAOBPIK3CASIGMAR1 | |
| SCHEMBL14347463 | 0.80 | PRKDC (0.39) | PRKDCSIGMAR1 | |
| SCHEMBL14347475 | 0.78 | HTR1B (0.49) | PRKDC | |
| SCHEMBL14347527 | 0.75 | LOXL2 (0.43) | PRKDC | |
| SCHEMBL14347495 | 0.74 | MAOA (0.49) | PRKDCHSD17B10 | |
| SCHEMBL14374755 | 0.73 | PRKDC (0.51) | PRKDCCYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL14374634 | 0.72 | PRKDC (0.60) | PRKDCP2RY12MAOBSIGMAR1 | |
| SCHEMBL14347531 | 0.69 | MAOA (0.33) | PRKDC |
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-7312211-B2 | Pryanone compounds useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2007-12-25 | — | — | US | disclosed |