Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.33 |
| ▸ | REN | P00797 | 6/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.33 |
| ▸ | 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 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6998342 | 0.90 | SMYD3 (0.40) | CTSSCTSKHSD17B1HSD17B2AAK1 | |
| SCHEMBL7704943 | 0.82 | ALDH1A1 (0.43) | CTSSCTSKALDH1A1MAPTHPGD | |
| SCHEMBL7095640 | 0.81 | ALDH1A1 (0.37) | KDM4EALDH1A1RCE1PLA2G1BMAPT | |
| SCHEMBL6304809 | 0.81 | MAPT (0.39) | KDM4EALDH1A1RCE1PLA2G1BMAPT | |
| SCHEMBL7092472 | 0.81 | HSD17B10 (0.37) | CACNA1BALDH1A1MAPTHPGDXBP1 | |
| SCHEMBL7087725 | 0.81 | CTSS (0.41) | CTSSCTSKALDH1A1MAPTHPGD | |
| SCHEMBL7711322 | 0.80 | MEN1 (0.38) | CYP3A4KDM4EALDH1A1HPGDHTT | |
| SCHEMBL7094044 | 0.80 | SMN1; SMN2 (0.40) | CACNA1BALDH1A1MAPTHPGDHTT | |
| SCHEMBL7087735 | 0.79 | MC4R (0.36) | CTSKKDM4EALDH1A1RCE1PLA2G1B | |
| SCHEMBL7095873 | 0.79 | CTSS (0.42) | CTSSCTSKKDM4EALDH1A1RCE1 |
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 |