Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 7/20 | 0.35 |
| ▸ | USP14 | P54578 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CCR6 | P51684 | 1/20 | 0.32 |
| ▸ | CCR4 | P51679 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29969938 | 1.00 | ALDH1A1 (0.40) | ALDH1A1MAPK1HTTCYP2C9CYP3A4 | |
| SCHEMBL26131943 | 0.88 | ALDH1A1 (0.44) | ALDH1A1MAPK1HTTCYP2C9CYP3A4 | |
| SCHEMBL29968881 | 0.88 | ALDH1A1 (0.44) | ALDH1A1MAPK1HTTCYP2C9CYP3A4 | |
| SCHEMBL22941968 | 0.84 | ALDH1A1 (0.43) | ALDH1A1MAPK1HTTCYP2C9OPRK1 | |
| SCHEMBL26127971 | 0.82 | ALDH1A1 (0.40) | ALDH1A1MAPK1HTTCYP2C9OPRK1 | |
| SCHEMBL29969671 | 0.82 | ALDH1A1 (0.40) | ALDH1A1MAPK1HTTCYP2C9OPRK1 | |
| SCHEMBL26130281 | 0.79 | ALDH1A1 (0.39) | ALDH1A1MAPK1HTTOPRK1JAK2 | |
| SCHEMBL21513232 | 0.78 | OPRK1 (0.33) | HTTOPRK1JAK2JAK1JAK3 | |
| SCHEMBL29968653 | 0.78 | ALDH1A1 (0.36) | ALDH1A1MAPK1HTTOPRK1JAK2 | |
| SCHEMBL26130136 | 0.78 | ALDH1A1 (0.36) | ALDH1A1MAPK1HTTOPRK1JAK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4327877-A2 | DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY | XRad Therapeutics, Inc. (US) | 2024-02-28 | — | — | EP | disclosed |
| EP-3784671-B1 | DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY | XRAD THERAPEUTICS INC (US) | 2023-10-11 | — | — | EP | disclosed |