Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.32 |
| ▸ | DRD2 | P14416 | 3/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | SLC8A1 | P32418 | 1/20 | 0.30 |
| ▸ | EDNRA | P25101 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL7704833 | 0.86 | KDM4E (0.37) | ALDH1A1KDM4ERCE1PLA2G1BMAPT | |
| SCHEMBL7093745 | 0.80 | KDM4E (0.34) | ALDH1A1KDM4ERCE1PLA2G1BMAPT | |
| Hydrochloric Acid SCHEMBL6996294 | 0.78 | IDO1 (0.33) | IDO1 | |
| SCHEMBL7708204 | 0.76 | IDO1 (0.39) | ALDH1A1KDM4ERCE1IDO1 | |
| SCHEMBL7704912 | 0.76 | ALDH1A1 (0.45) | ALDH1A1MAPTHPGDXBP1HTT | |
| SCHEMBL7094224 | 0.76 | ALDH1A1 (0.34) | ALDH1A1KDM4ERCE1PLA2G1BMAPT | |
| SCHEMBL7711115 | 0.75 | AAK1 (0.40) | ALDH1A1KDM4ERCE1PLA2G1BMAPT | |
| SCHEMBL7704928 | 0.74 | SMYD3 (0.35) | IDO1 | |
| SCHEMBL7704992 | 0.73 | ALDH1A1 (0.35) | ALDH1A1KDM4ERCE1PLA2G1BMAPT | |
| SCHEMBL7091668 | 0.73 | IDO1 (0.34) | ALDH1A1KDM4EIDO1 |
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 |