Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 4/20 | 0.34 |
| ▸ | NOS1 | P29475 | 4/20 | 0.34 |
| ▸ | NOS2 | P35228 | 4/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.34 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | GHSR | Q92847 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6310829 | 0.93 | RIPK1 (0.36) | NOS3NOS1NOS2AOC3RIPK1 | |
| SCHEMBL6302989 | 0.85 | HDAC3 (0.35) | HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL6305576 | 0.85 | SLC6A2 (0.33) | HDAC1KDM4EHTR2ASMN1; SMN2HDAC3 | |
| SCHEMBL6302740 | 0.85 | HDAC3 (0.43) | HDAC1HTR2CSMN1; SMN2HDAC3HDAC2 | |
| SCHEMBL6608622 | 0.82 | GAA (0.32) | HDAC1HTR2CHDAC3HDAC2NCOR2 | |
| SCHEMBL5189245 | 0.82 | SSTR4 (0.32) | HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL5188660 | 0.82 | SSTR4 (0.32) | HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL6069204 | 0.81 | NOS3 (0.56) | NOS3NOS1NOS2GHSR | |
| SCHEMBL7708154 | 0.81 | PARP1 (0.44) | RIPK1SLC2A1LPAR1LPAR5HDAC1 | |
| SCHEMBL6302903 | 0.80 | NR1D1 (0.37) | SLC2A1HDAC1SMN1; SMN2HDAC3HDAC2 |
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 |