Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7704973 | 0.86 | RAMP1 (0.35) | PARP1HSD11B1 | |
| SCHEMBL7704884 | 0.85 | P2RX3 (0.40) | PARP1ALDH1A1 | |
| SCHEMBL7704945 | 0.83 | HDAC3 (0.44) | PARP1ALOX15HSD17B10HDAC3HDAC1 | |
| SCHEMBL6309617 | 0.81 | HDAC1 (0.43) | PARP1ALOX15HSD17B10HDAC3HDAC1 | |
| SCHEMBL7710837 | 0.80 | PARP1 (0.40) | PARP1ALOX15HSD17B10HDAC3HDAC1 | |
| SCHEMBL7704830 | 0.80 | HSD11B1 (0.35) | HSD11B1NR1H4CETPSLC6A2SLC6A4 | |
| SCHEMBL7704907 | 0.79 | HSD17B10 (0.38) | PARP1ALOX15HSD17B10HDAC3HDAC1 | |
| SCHEMBL7704942 | 0.79 | ALDH1A1 (0.37) | PARP1ALOX15HSD17B10HDAC3HDAC1 | |
| SCHEMBL7711006 | 0.79 | PARP1 (0.36) | PARP1ALOX15HSD17B10HDAC3HDAC1 | |
| SCHEMBL7711323 | 0.79 | ALDH1A1 (0.41) | ALOX15HSD17B10ALDH1A1 |
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 |