Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | NOS1 | P29475 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.49 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.49 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.49 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL588431 | 1.00 | PARP1 (0.51) | PARP1MAPTALDH1A1TDP1HPGD | |
| Sulfuric Acid SCHEMBL1405805 | 0.93 | PARP1 (0.46) | PARP1MAPTALDH1A1TDP1HPGD | |
| SCHEMBL266008 | 0.87 | MAPT (0.61) | PARP1MAPTALDH1A1TDP1HPGD | |
| SCHEMBL29672461 | 0.87 | MAPT (0.61) | PARP1MAPTALDH1A1TDP1HPGD | |
| Quinoline SCHEMBL27606941 | 0.83 | MAPT (0.46) | MAPTALDH1A1HPGDKDM4ECYP3A4 | |
| SCHEMBL29431208 | 0.81 | JAK2 (0.51) | PARP1MAPTALDH1A1TDP1HPGD | |
| SCHEMBL2931498 | 0.81 | JAK2 (0.51) | PARP1MAPTALDH1A1TDP1HPGD | |
| SCHEMBL30833662 | 0.81 | DAO (0.51) | PARP1MAPTALDH1A1TDP1HPGD | |
| SCHEMBL921416 | 0.81 | DAO (0.51) | PARP1MAPTALDH1A1TDP1HPGD | |
| SCHEMBL445096 | 0.80 | MAPT (0.50) | PARP1MAPTALDH1A1TDP1HPGD |
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-4010080-A1 | HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER | Artios Pharma Limited (GB) | 2022-06-15 | — | — | EP | disclosed |