Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1A | P54750 | 6/20 | 0.48 |
| ▸ | PDE1B | Q01064 | 6/20 | 0.48 |
| ▸ | PDE1C | Q14123 | 6/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | PDE2A | O00408 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3084224 | 0.95 | PDE1A (0.52) | PDE1APDE1BPDE1CADORA2AADORA2B | |
| Butanone SCHEMBL3661929 | 0.89 | PDE1A (0.46) | PDE1APDE1BPDE1CADORA2AADORA2B | |
| SCHEMBL7000713 | 0.81 | MAPT (0.47) | PDE1APDE1BPDE1CADORA1ADORA3 | |
| SCHEMBL7446470 | 0.80 | PDE1B (0.46) | PDE1APDE1BPDE1CADORA2AADORA2B | |
| SCHEMBL3089382 | 0.80 | PIK3CD (0.53) | ADORA3HPGDALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL5411368 | 0.77 | PDE1A (0.47) | PDE1APDE1BPDE1CADORA2AADORA2B | |
| SCHEMBL5419584 | 0.76 | SLC16A1 (0.67) | PDE1APDE1BPDE1CSLC16A1ALDH1A1 | |
| SCHEMBL3091849 | 0.76 | PDE1B (0.54) | PDE1APDE1BPDE1CADORA2AADORA2B | |
| SCHEMBL3083046 | 0.75 | PDE1B (0.53) | PDE1APDE1BPDE1CADORA2AADORA2B | |
| SCHEMBL18330288 | 0.74 | ALDH1A1 (0.54) | ADORA3HPGDALDH1A1SMN1; SMN2MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2240028-A1 | ORGANIC COMPOUNDS | Intra-Cellular Therapies, Inc. (US) | 2010-10-20 | — | — | EP | disclosed |
| WO-2009073210-A1 | ORGANIC COMPOUNDS | INTRA-CELLULAR THERAPIES, INC (US) | 2009-06-11 | — | — | WO | disclosed |