Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL7455612 | 0.81 | PDE10A (0.43) | HCAR3ALDH1A1SMN1; SMN2PDE10AMAOA | |
| Dimethylformamide SCHEMBL28801531 | 0.81 | GAA (0.41) | ALDH1A1SMN1; SMN2LMNATDP1 | |
| SCHEMBL28805092 | 0.78 | ALDH1A1 (0.39) | HCAR3ALDH1A1SMN1; SMN2PDE10AMAOA | |
| SCHEMBL7455600 | 0.77 | PDE10A (0.44) | HCAR3ALDH1A1SMN1; SMN2PDE10AMAOA | |
| SCHEMBL6068843 | 0.73 | HCAR3 (0.36) | HCAR3ALDH1A1SMN1; SMN2MAOAMAOB | |
| Dimethylformamide SCHEMBL27912660 | 0.72 | IRAK4 (0.34) | HCAR3ALDH1A1PDE10AMAPK1PTGER4 | |
| SCHEMBL15651733 | 0.71 | ALDH1A1 (0.35) | ALDH1A1MAOAMAOBLMNATDP1 | |
| SCHEMBL27758253 | 0.71 | ALDH1A1 (0.43) | HCAR3ALDH1A1SMN1; SMN2MAOAMAOB | |
| SCHEMBL33797 | 0.69 | ALDH1A1 (0.37) | HCAR3ALDH1A1MAOAMAOBLMNA | |
| SCHEMBL14445356 | 0.68 | MAPK1 (0.36) | HCAR3ALDH1A1SMN1; SMN2MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-102947292-A | nitrogen-containing heteroaryl compounds | HOFFMANN LA ROCHE | 2013-02-27 | — | — | CN | disclosed |