Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 4/20 | 0.33 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | ACACA | Q13085 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1459945 | 0.92 | HRH2 (0.41) | HRH2HRH1CYP19A1S1PR1KCNH2 | |
| SCHEMBL1460274 | 0.90 | HRH2 (0.41) | HRH2HRH1CYP19A1S1PR1KCNH2 | |
| SCHEMBL1458899 | 0.89 | CYP19A1 (0.38) | HRH2HRH1CYP19A1S1PR1KCNH2 | |
| SCHEMBL1459793 | 0.88 | HRH2 (0.38) | HRH2HRH1CYP19A1S1PR1KCNH2 | |
| SCHEMBL12826229 | 0.88 | HRH2 (0.38) | HRH2HRH1CYP19A1S1PR1KCNH2 | |
| SCHEMBL1460936 | 0.85 | CYP19A1 (0.42) | CYP19A1KCNH2CDK5CDK5R1NPC1 | |
| SCHEMBL1461160 | 0.83 | CYP19A1 (0.43) | CYP19A1KCNH2CDK5CDK5R1SCN10A | |
| SCHEMBL1459615 | 0.81 | CYP19A1 (0.48) | CYP19A1KCNH2CDK5CDK5R1SCN10A | |
| SCHEMBL1460031 | 0.79 | CYP19A1 (0.38) | CYP19A1CDK5CDK5R1NPC1RAB9A | |
| SCHEMBL12825547 | 0.78 | CYP1A1 (0.38) | NPC1RAB9AFFAR1PPARG |
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 |
|---|---|---|---|---|---|---|---|
| CN-102574788-A | Indole derivatives as crac modulators | HOFFMANN LA ROCHE | 2012-07-11 | — | — | CN | claimed |
| CN-102574788-A | Indole derivatives as crac modulators | HOFFMANN LA ROCHE | 2012-07-11 | — | — | CN | disclosed |