Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.51 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.41 |
| ▸ | FPR2 | P25090 | 1/20 | 0.40 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL9055116 | 0.89 | TBXA2R (0.49) | PNMTSIGMAR1PLA2G1BPOLBATG4B | |
| SCHEMBL21361280 | 0.83 | PNMT (0.41) | PNMTSIGMAR1PLA2G1BPOLBATG4B | |
| Ammonia Solution, Strong SCHEMBL8866198 | 0.83 | SIGMAR1 (0.44) | PNMTSIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Ammonia Solution, Strong SCHEMBL8867131 | 0.80 | SLC6A2 (0.52) | SIGMAR1SLC6A2SLC6A4SLC6A3ESR1 | |
| Ammonia Solution, Strong SCHEMBL8867398 | 0.79 | PNMT (0.61) | PNMTSIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9069704 | 0.79 | ESR1 (0.61) | SIGMAR1SLC6A2SLC6A4SLC6A3ESR1 | |
| SCHEMBL17894815 | 0.79 | PNMT (0.51) | PNMTSIGMAR1PLA2G1BPOLBATG4B | |
| SCHEMBL17892844 | 0.79 | PNMT (0.51) | PNMTSIGMAR1PLA2G1BPOLBATG4B | |
| SCHEMBL11123723 | 0.79 | PLA2G1B (0.65) | PNMTSIGMAR1PLA2G1BPOLBATG4B | |
| SCHEMBL4603712 | 0.78 | SLC6A2 (0.53) | SIGMAR1SLC6A2SLC6A4SLC6A3ESR1 |
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 |