Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 8/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.34 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7711139 | 0.94 | PARP1 (0.48) | PARP1KDRALDH1A1TSHRALOX15 | |
| SCHEMBL6302723 | 0.93 | PARP1 (0.47) | PARP1KDRALDH1A1TSHRALOX15 | |
| SCHEMBL7705076 | 0.91 | HDAC1 (0.35) | PARP1ALDH1A1TSHRHDAC1SMN1; SMN2 | |
| SCHEMBL7713340 | 0.86 | PARP1 (0.47) | PARP1ALDH1A1TSHRALOX15HSD17B10 | |
| SCHEMBL6308969 | 0.85 | PARP1 (0.46) | PARP1KDRALDH1A1ALOX15HSD17B10 | |
| SCHEMBL6302996 | 0.85 | PARP1 (0.43) | PARP1KDRALDH1A1TSHRALOX15 | |
| SCHEMBL6305893 | 0.85 | PARP1 (0.54) | PARP1ALDH1A1ALOX15HSD17B10HDAC1 | |
| SCHEMBL7713376 | 0.85 | PARP1 (0.56) | PARP1ALDH1A1ALOX15HSD17B10HDAC1 | |
| SCHEMBL7708255 | 0.84 | RIPK1 (0.36) | PARP1KDRTSHRALOX15HSD17B10 | |
| SCHEMBL6428132 | 0.83 | RIPK1 (0.36) | PARP1KDRTSHRALOX15HSD17B10 |
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 |