Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.81 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.81 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL8865775 | 0.98 | ESR1 (0.78) | ESR1ESR2TAAR1SIGMAR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL8866027 | 0.96 | ESR1 (0.75) | ESR1ESR2TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL1602384 | 0.96 | ESR1 (0.81) | ESR1ESR2TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL28217880 | 0.96 | ESR1 (0.81) | ESR1ESR2TAAR1SIGMAR1SLC6A2 | |
| Ammonia Solution, Strong SCHEMBL8866157 | 0.94 | ESR1 (0.78) | ESR1ESR2TAAR1SIGMAR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL8865826 | 0.93 | ESR1 (0.75) | ESR1ESR2TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL1936402 | 0.92 | ESR1 (0.81) | ESR1ESR2TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL4602654 | 0.92 | ESR1 (0.81) | ESR1ESR2TAAR1SIGMAR1SLC6A2 | |
| Ammonia Solution, Strong SCHEMBL5329244 | 0.92 | ESR1 (0.96) | ESR1ESR2TAAR1SLC6A2 | |
| SCHEMBL1171038 | 0.90 | ESR1 (1.00) | ESR1ESR2TAAR1SLC6A2 |
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-5539120-A | Arylalkyl-amines having anticonvulsant and neuroprotective properties | AGENCE SPATIALE EUROPEENNE (FR) | 1996-07-23 | — | — | US | disclosed |
| WO-1991011995-A1 | ARYLALKYL-AMINES AND -AMIDES HAVING ANTICONVULSANT AND NEUROPROTECTIVE PROPERTIES | FISONS CORPORATION (US) | 1991-08-22 | — | — | WO | disclosed |