Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | KCNQ4 | P56696 | 3/20 | 0.35 |
| ▸ | KCNQ5 | Q9NR82 | 3/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7712797 | 0.92 | RIPK1 (0.36) | HDAC3HDAC1HDAC2NCOR2PARP1 | |
| SCHEMBL7704945 | 0.91 | HDAC3 (0.44) | HDAC3HDAC1HDAC2NCOR2PARP1 | |
| SCHEMBL7704907 | 0.91 | HSD17B10 (0.38) | HDAC3HDAC1HDAC2NCOR2PARP1 | |
| SCHEMBL7708363 | 0.90 | TP53 (0.35) | HDAC3HDAC1HDAC2NCOR2PARP1 | |
| SCHEMBL7711422 | 0.90 | HSD17B10 (0.36) | HDAC3HDAC1HDAC2NCOR2PARP1 | |
| SCHEMBL6309617 | 0.90 | HDAC1 (0.43) | HDAC3HDAC1HDAC2NCOR2PARP1 | |
| SCHEMBL7708149 | 0.89 | PARP1 (0.45) | HDAC3HDAC1HDAC2NCOR2KCNQ4 | |
| SCHEMBL7704942 | 0.89 | ALDH1A1 (0.37) | HDAC3HDAC1HDAC2NCOR2PARP1 | |
| SCHEMBL7711220 | 0.88 | HDAC3 (0.34) | HDAC3HDAC1HDAC2NCOR2PARP1 | |
| SCHEMBL6302990 | 0.87 | PARP1 (0.38) | 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 |