Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680759 | 0.76 | BACE1 (0.49) | PDE10ACYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL13680737 | 0.73 | ADORA2A (0.39) | PDE10ACYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL13680760 | 0.73 | PDE10A (0.39) | PDE10ACYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL13681063 | 0.73 | ERN1 (0.38) | DYRK1AHRH3ERN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL13681281 | 0.72 | LOXL2 (0.41) | PDE10ACYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL2212043 | 0.69 | — | — | |
| SCHEMBL13680615 | 0.69 | CYP2E1 (0.47) | PDE10ACYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL22631683 | 0.69 | PDE10A (0.36) | PDE10ACYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL13680692 | 0.69 | DYRK1A (0.56) | DYRK1ACYP2A6ERN1NPC1RAB9A | |
| SCHEMBL18157874 | 0.69 | SMN1; SMN2 (0.55) | PDE10ACYP3A4CYP2E1CYP2A6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |