Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.73 |
| ▸ | TNKS | O95271 | 3/20 | 0.73 |
| ▸ | TNKS2 | Q9H2K2 | 3/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15775736 | 0.85 | PARP1 (1.00) | PARP1TNKSTNKS2KDM4EALDH1A1 | |
| SCHEMBL15775183 | 0.85 | PARP1 (0.77) | PARP1TNKSTNKS2KDM4EALDH1A1 | |
| SCHEMBL15775409 | 0.84 | PARP1 (1.00) | PARP1TNKSTNKS2KDM4EALDH1A1 | |
| SCHEMBL15775243 | 0.81 | TNKS (0.72) | PARP1TNKSTNKS2TP53GSK3B | |
| SCHEMBL2366882 | 0.70 | PARP1 (0.71) | PARP1KDM4EALDH1A1HPGDMAPT | |
| Hydrochloric Acid SCHEMBL2367012 | 0.69 | PARP1 (0.69) | PARP1KDM4EALDH1A1HPGDMAPT | |
| SCHEMBL31215834 | 0.68 | TNKS (0.43) | PARP1TNKSTNKS2KDM4EALDH1A1 | |
| SCHEMBL22578070 | 0.66 | KDM4E (0.47) | KDM4EALDH1A1SMN1; SMN2HPGDMAPT | |
| SCHEMBL10566516 | 0.65 | ALDH1A1 (0.53) | PARP1KDM4EALDH1A1SMN1; SMN2GAA | |
| SCHEMBL24316050 | 0.65 | DRD1 (0.55) | ALDH1A1SMN1; SMN2GAAHPGDMAPT |
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 4 patents. 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 | claimed |
| WO-2024048555-A1 | COMBINATION DRUG | 中外製薬株式会社 | 2024-03-07 | — | — | WO | disclosed |
| WO-2014087165-A1 | TANKYRASE INHIBITORS | UNIVERSITY OF BATH (GB) | 2014-06-12 | — | — | WO | disclosed |
| WO-2014087165-A1 | TANKYRASE INHIBITORS | UNIVERSITY OF BATH (GB) | 2014-06-12 | — | — | WO | disclosed |