Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKDC | P78527 | 2/20 | 0.44 |
| ▸ | FAAH | O00519 | 10/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | BCR | P11274 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19905491 | 0.94 | PRKDC (0.44) | PRKDCFAAHTP53ABL1BCR | |
| SCHEMBL15473153 | 0.92 | PRKDC (0.50) | PRKDCFAAHCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17874675 | 0.92 | PRKDC (0.50) | PRKDCFAAHCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19905481 | 0.91 | PRKDC (0.40) | PRKDCFAAHCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19905365 | 0.88 | PRKDC (0.41) | PRKDCFAAH | |
| SCHEMBL19905459 | 0.87 | PRKDC (0.42) | PRKDCFAAHCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19905448 | 0.86 | FAAH (0.47) | PRKDCFAAHCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17874683 | 0.86 | PRKDC (0.51) | PRKDCFAAHTP53ABL1BCR | |
| SCHEMBL19905088 | 0.83 | PRKDC (0.48) | PRKDCFAAHTP53ABL1BCR | |
| SCHEMBL17874673 | 0.83 | PRKDC (0.46) | PRKDCFAAHCYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3057959-B1 | DNA-PK INHIBITORS | VERTEX PHARMA (US) | 2018-02-28 | — | — | EP | disclosed |