Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13683147 | 0.72 | NOTUM (0.41) | CYP2A6ALDH1A1GAAHPGDCYP1A2 | |
| SCHEMBL13184164 | 0.72 | ADORA2A (0.36) | PDE3BPDE3ACYP2E1CYP2A6ALDH1A1 | |
| SCHEMBL16200110 | 0.70 | PDE3B (0.37) | PDE3BPDE3ACYP2E1CYP2A6CYP1A2 | |
| SCHEMBL13683025 | 0.67 | RAB9A (0.42) | ALDH1A1GAAHPGDTHRBGFER | |
| SCHEMBL13683119 | 0.66 | ADORA2A (0.35) | CYP2A6ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10444945 | 0.66 | PDE3B (0.39) | PDE3BPDE3ACYP2E1CYP2A6CYP1A2 | |
| SCHEMBL16200121 | 0.66 | CYP3A4 (0.38) | CYP2E1CYP2A6ALDH1A1HPGDCYP1A2 | |
| SCHEMBL4849258 | 0.63 | PDE3B (0.35) | PDE3BPDE3ACYP2E1CYP2A6CYP1A2 | |
| SCHEMBL16914399 | 0.63 | NR2E1 (0.42) | PDE3BPDE3ACYP2E1CYP2A6CYP1A2 | |
| SCHEMBL16200050 | 0.63 | PDE10A (0.42) | POLB |
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-1720545-B1 | BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES | CHEMOCENTRYX INC (US) | 2014-10-29 | — | — | EP | disclosed |
| US-7589199-B2 | Substituted piperazines | CHEMOCENTRYX, INC. (US) | 2009-09-15 | — | — | US | disclosed |