Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 8/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.36 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7713256 | 0.92 | PARP1 (0.48) | PARP1HSD17B10ALOX15SMYD3PDE3B | |
| SCHEMBL7713376 | 0.91 | PARP1 (0.56) | PARP1HSD17B10ALOX15SMYD3PDE3B | |
| SCHEMBL7713299 | 0.91 | PARP1 (0.46) | PARP1HSD17B10ALOX15USP2GAA | |
| SCHEMBL7713340 | 0.90 | PARP1 (0.47) | PARP1HSD17B10ALOX15SMYD3PDE3B | |
| SCHEMBL6305893 | 0.89 | PARP1 (0.54) | PARP1HSD17B10ALOX15SMYD3PDE3B | |
| SCHEMBL7704932 | 0.89 | HDAC3 (0.35) | PARP1HSD17B10ALOX15TP53HDAC3 | |
| SCHEMBL7711373 | 0.89 | PARP1 (0.44) | PARP1HSD17B10ALOX15SMYD3USP2 | |
| SCHEMBL7708033 | 0.89 | PARP1 (0.45) | PARP1HSD17B10ALOX15SMYD3PDE3B | |
| SCHEMBL7708088 | 0.89 | PARP1 (0.47) | PARP1HSD17B10ALOX15SMYD3PDE3B | |
| SCHEMBL7708225 | 0.88 | PARP1 (0.43) | PARP1HSD17B10ALOX15SMYD3PDE3B |
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 |
|---|---|---|---|---|---|---|---|
| US-6365736-B1 | TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |