Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.84 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.84 |
| ▸ | RECQL | P46063 | 1/20 | 0.84 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.82 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 4/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5300046 | 0.94 | CYP3A4 (0.84) | CYP3A4CYP1A2RECQLMAPK1BLM | |
| Fumaric Acid SCHEMBL8866741 | 0.94 | CYP3A4 (0.74) | CYP3A4CYP1A2RECQLMAPK1BLM | |
| Maleic Acid SCHEMBL8866733 | 0.94 | CYP3A4 (0.74) | CYP3A4CYP1A2RECQLMAPK1BLM | |
| SCHEMBL5306503 | 0.93 | CYP3A4 (0.71) | CYP3A4CYP1A2RECQLMAPK1BLM | |
| Acetic Acid SCHEMBL8866866 | 0.92 | CYP3A4 (0.70) | CYP3A4CYP1A2RECQLMAPK1BLM | |
| Remacemide SCHEMBL151148 | 0.91 | CYP1A2 (1.00) | CYP3A4CYP1A2RECQLMAPK1ALDH1A1 | |
| Remacemide SCHEMBL20769836 | 0.91 | CYP1A2 (1.00) | CYP3A4CYP1A2RECQLMAPK1ALDH1A1 | |
| Remacemide SCHEMBL635940 | 0.90 | MAPK1 (1.00) | CYP3A4CYP1A2RECQLMAPK1ALDH1A1 | |
| SCHEMBL9054250 | 0.89 | CYP3A4 (0.84) | CYP3A4CYP1A2RECQLMAPK1KIF11 | |
| Fumaric Acid SCHEMBL8866366 | 0.89 | CYP3A4 (0.74) | CYP3A4CYP1A2RECQLMAPK1BLM |
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 5 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 |
| 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 |