Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6309617 | 0.98 | HDAC1 (0.43) | HDAC3HDAC1HDAC2NCOR2PARP1 | |
| SCHEMBL7704907 | 0.92 | HSD17B10 (0.38) | HDAC3HDAC1HDAC2NCOR2PARP1 | |
| SCHEMBL7704932 | 0.91 | HDAC3 (0.35) | HDAC3HDAC1HDAC2NCOR2PARP1 | |
| SCHEMBL7708255 | 0.91 | RIPK1 (0.36) | HDAC3HDAC1HDAC2NCOR2PARP1 | |
| SCHEMBL7712797 | 0.91 | RIPK1 (0.36) | HDAC3HDAC1HDAC2NCOR2PARP1 | |
| SCHEMBL7708363 | 0.90 | TP53 (0.35) | HDAC3HDAC1HDAC2NCOR2PARP1 | |
| SCHEMBL7711422 | 0.90 | HSD17B10 (0.36) | HDAC3HDAC1HDAC2NCOR2PARP1 | |
| SCHEMBL6310115 | 0.90 | PARP1 (0.37) | HDAC3HDAC1HDAC2NCOR2PARP1 | |
| SCHEMBL7711073 | 0.90 | MEN1 (0.37) | HDAC3HDAC1HDAC2NCOR2PARP1 | |
| SCHEMBL7704942 | 0.90 | ALDH1A1 (0.37) | HDAC3HDAC1HDAC2NCOR2PARP1 |
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 |