Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | CASP1 | P29466 | 1/20 | 0.58 |
| ▸ | CASP7 | P55210 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.50 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.50 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 3/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7961623 | 0.82 | MAPT (0.62) | ALDH1A1CASP1CASP7LMNAMAPT | |
| SCHEMBL17100583 | 0.81 | CYP2D6 (0.71) | CYP2D6KCNH2ALDH1A1CASP1CASP7 | |
| SCHEMBL5734895 | 0.80 | HTR7 (0.61) | ALDH1A1LMNAMAPTSMN1; SMN2TSHR | |
| SCHEMBL7821576 | 0.75 | MAPT (0.50) | ALDH1A1MAPTTSHRDRD2HTR1A | |
| SCHEMBL23958379 | 0.74 | CYP2D6 (0.92) | CYP2D6KCNH2ALDH1A1CASP1CASP7 | |
| SCHEMBL17100616 | 0.73 | LMNA (0.67) | CYP2D6KCNH2ALDH1A1CASP1CASP7 | |
| SCHEMBL5736286 | 0.72 | MAPT (0.53) | ALDH1A1MAPTSMN1; SMN2S1PR1GPR55 | |
| SCHEMBL8611543 | 0.72 | DRD4 (0.60) | CYP2D6KCNH2ALDH1A1LMNAMAPT | |
| SCHEMBL17100611 | 0.71 | MAPK1 (0.57) | CYP2D6KCNH2ALDH1A1CASP1CASP7 | |
| SCHEMBL17100655 | 0.71 | MAPT (0.66) | CYP2D6KCNH2ALDH1A1LMNAMAPT |
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-6277872-B1 | ANTIISCHEMIC AGENTS; BRAIN DISORDERS | BOEHRINGER INGELHEIM KG (DE) | 2001-08-21 | — | — | US | disclosed |