Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 3/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.34 |
| ▸ | AGTR2 | P50052 | 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 | |
|---|---|---|---|---|
| SCHEMBL7708189 | 0.93 | HDAC3 (0.37) | HDAC1HDAC3HDAC2NCOR2ALDH1A1 | |
| SCHEMBL7711366 | 0.93 | HDAC1 (0.37) | HDAC1HDAC3HDAC2NCOR2ALDH1A1 | |
| SCHEMBL7708353 | 0.91 | GRM2 (0.37) | HDAC1HDAC3HDAC2NCOR2ALDH1A1 | |
| SCHEMBL7704965 | 0.91 | HDAC3 (0.36) | HDAC1HDAC3HDAC2NCOR2ALDH1A1 | |
| SCHEMBL7704902 | 0.91 | RIPK1 (0.37) | HDAC1HDAC3HDAC2NCOR2SMN1; SMN2 | |
| SCHEMBL7711248 | 0.91 | RIPK1 (0.37) | HDAC1HDAC3HDAC2NCOR2ALDH1A1 | |
| SCHEMBL7704946 | 0.90 | ALDH1A1 (0.38) | HDAC1HDAC3HDAC2NCOR2ALDH1A1 | |
| SCHEMBL7711328 | 0.90 | HDAC3 (0.35) | HDAC1HDAC3HDAC2NCOR2MEN1 | |
| SCHEMBL7704988 | 0.90 | HDAC3 (0.36) | HDAC1HDAC3HDAC2NCOR2ALDH1A1 | |
| SCHEMBL7710867 | 0.90 | ALDH1A1 (0.38) | HDAC1HDAC3HDAC2NCOR2ALDH1A1 |
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 |