Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.51 |
| ▸ | ALOX15B | O15296 | 3/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.47 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 4/20 | 0.40 |
| ▸ | HTR2C | P28335 | 4/20 | 0.40 |
| ▸ | HTR2B | P41595 | 4/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4366072 | 0.83 | ESR1 (0.68) | CYP19A1ALOX15BALOX15ALOX12ESR1 | |
| SCHEMBL577507 | 0.82 | NISCH (0.54) | CYP19A1ALOX15BALOX15ALOX12NISCH | |
| SCHEMBL31264767 | 0.82 | NISCH (0.54) | CYP19A1ALOX15BALOX15ALOX12NISCH | |
| SCHEMBL6274762 | 0.81 | ALOX15 (0.71) | CYP19A1ALOX15BALOX15ALOX12ESR1 | |
| SCHEMBL21594807 | 0.78 | CYP19A1 (0.54) | CYP19A1ALOX15BALOX15ALOX12NISCH | |
| SCHEMBL22201929 | 0.77 | ALOX15 (0.46) | ALOX15BALOX15ALOX12NISCHESR1 | |
| SCHEMBL13840367 | 0.76 | ALOX15 (0.56) | ALOX15BALOX15ALOX12NISCHESR1 | |
| SCHEMBL19560169 | 0.76 | ALOX15B (0.55) | ALOX15BALOX15ALOX12NISCHESR1 | |
| SCHEMBL10562419 | 0.73 | ALOX15 (0.60) | CYP19A1ALOX15BALOX15ALOX12ESR1 | |
| SCHEMBL10534369 | 0.73 | ESR1 (0.50) | ALOX15BALOX15ALOX12NISCHESR1 |
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-1583759-A1 | PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM | ORION CORPORATION (FI) | 2005-10-12 | — | — | EP | disclosed |
| WO-2004063191-A1 | PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM | ORION CORPORATION (FI) | 2004-07-29 | — | — | WO | disclosed |