Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 2/20 | 0.36 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | EED | O75530 | 1/20 | 0.35 |
| ▸ | RBBP4 | Q09028 | 1/20 | 0.35 |
| ▸ | SUZ12 | Q15022 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7931521 | 0.83 | ADORA3 (0.39) | CYP2C9CYP2C19ADORA3MAOBADORA2A | |
| SCHEMBL7902720 | 0.78 | DPP4 (0.39) | CYP3A4CYP2D6CYP2C9CYP2C19MAOB | |
| SCHEMBL3379685 | 0.78 | DPP4 (0.39) | CYP2C9CYP2C19MAOBRAB9A | |
| SCHEMBL7916793 | 0.78 | DPP4 (0.39) | CYP3A4CYP2C9KCNH2RAB9A | |
| SCHEMBL3792406 | 0.74 | PDE4B (0.62) | L3MBTL1RAB9AHRH3 | |
| SCHEMBL3433258 | 0.74 | DPP4 (0.38) | CYP3A4CYP2C19MAOBADORA2ARAB9A | |
| SCHEMBL3378468 | 0.73 | PDE4D (0.38) | — | |
| SCHEMBL3380528 | 0.72 | PDE4D (0.60) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3379679 | 0.71 | DHFR (0.38) | ADORA2ARAB9A | |
| SCHEMBL3378785 | 0.69 | GABRA2 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19L3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010059838-A2 | PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS | DECODE GENETICS EHF (IS) | 2010-05-27 | — | — | WO | disclosed |
| WO-2010059836-A1 | SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE | DECODE GENETICS EHF (IS) | 2010-05-27 | — | — | WO | disclosed |
| WO-2010059836-A1 | SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE | DECODE GENETICS EHF (IS) | 2010-05-27 | — | — | WO | disclosed |