Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23301181 | 1.00 | TNKS (0.43) | TNKSPARP1TNKS2PARP2GRIN2B | |
| SCHEMBL23301259 | 0.90 | GRIN2B (0.42) | TNKSPARP1TNKS2PARP2GRIN2B | |
| SCHEMBL21404913 | 0.86 | GRIN2B (0.42) | TNKSPARP1TNKS2PARP2GRIN2B | |
| Hydrochloric Acid SCHEMBL29838286 | 0.85 | GRIN2B (0.42) | TNKSPARP1TNKS2PARP2GRIN2B | |
| Hydrochloric Acid SCHEMBL21405075 | 0.85 | GRIN2B (0.42) | TNKSPARP1TNKS2PARP2GRIN2B | |
| SCHEMBL28810491 | 0.85 | ACHE (0.46) | TNKSPARP1TNKS2PARP2GRIN2B | |
| SCHEMBL29943772 | 0.85 | ACHE (0.46) | TNKSPARP1TNKS2PARP2GRIN2B | |
| SCHEMBL23303178 | 0.81 | KDM4E (0.49) | SMN1; SMN2NPC1RAB9ACYP2C19CYP2D6 | |
| SCHEMBL23303123 | 0.81 | ALDH1A1 (0.46) | TNKSPARP1TNKS2PARP2GRIN2B | |
| SCHEMBL29910708 | 0.81 | ALDH1A1 (0.46) | TNKSPARP1TNKS2PARP2GRIN2B |
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-4051674-A1 | BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2022-09-07 | — | — | EP | disclosed |