Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5313594 | 0.98 | ESR1 (0.53) | ESR1ESR2TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL2844291 | 0.90 | ESR1 (0.53) | ESR1ESR2TAAR1SIGMAR1SLC6A2 | |
| Ammonia Solution, Strong SCHEMBL5082413 | 0.87 | TAAR1 (0.54) | ESR1ESR2TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL6547203 | 0.87 | ESR1 (0.65) | ESR1ESR2TAAR1CYP2A6SMN1; SMN2 | |
| Fumaric Acid SCHEMBL8866467 | 0.87 | TAAR1 (0.52) | ESR1ESR2TAAR1CNR2CNR1 | |
| Hydrochloric Acid SCHEMBL7266799 | 0.85 | TAAR1 (0.52) | ESR1ESR2TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL535702 | 0.85 | TAAR1 (0.56) | ESR1ESR2TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL8983689 | 0.85 | TAAR1 (0.56) | ESR1ESR2TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL14799062 | 0.85 | TAAR1 (0.56) | ESR1ESR2TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL6547012 | 0.83 | ESR1 (0.55) | ESR1ESR2TAAR1SIGMAR1SLC6A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007017652-A2 | ARYLAKYLAMINES FOR THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2007-02-15 | — | — | WO | claimed |
| US-5539120-A | Arylalkyl-amines having anticonvulsant and neuroprotective properties | AGENCE SPATIALE EUROPEENNE (FR) | 1996-07-23 | — | — | US | claimed |
| EP-0356035-B1 | Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties | ASTRA AB (SE) | 1996-03-13 | — | — | EP | claimed |
| WO-1991011995-A1 | ARYLALKYL-AMINES AND -AMIDES HAVING ANTICONVULSANT AND NEUROPROTECTIVE PROPERTIES | FISONS CORPORATION (US) | 1991-08-22 | — | — | WO | claimed |
| EP-0356035-A2 | Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties | Astra Aktiebolag (SE) | 1990-02-28 | — | — | EP | claimed |
| WO-2007017652-A2 | ARYLAKYLAMINES FOR THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2007-02-15 | — | — | WO | disclosed |