Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | G6PD | P11413 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CCR6 | P51684 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 4/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9563947 | 0.76 | ALDH1A1 (0.52) | GAANPC1TAAR1CYP3A4G6PD | |
| SCHEMBL19286921 | 0.74 | ACHE (0.52) | GAANPC1TAAR1CYP3A4MAPT | |
| SCHEMBL2089012 | 0.74 | ALDH1A1 (0.53) | CYP3A4ALDH1A1HSP90AA1MAPK1 | |
| SCHEMBL29749799 | 0.73 | CYP3A4 (0.50) | GAANPC1TAAR1CYP3A4MAPT | |
| SCHEMBL914797 | 0.73 | CYP3A4 (0.50) | GAANPC1TAAR1CYP3A4MAPT | |
| SCHEMBL25173012 | 0.73 | GAA (0.39) | GAANPC1TAAR1CYP3A4G6PD | |
| SCHEMBL1633580 | 0.73 | GAA (0.43) | GAANPC1TAAR1MAPTALDH1A1 | |
| SCHEMBL10663410 | 0.73 | CYP3A4 (0.56) | GAANPC1CYP3A4MAPTAKR1B1 | |
| SCHEMBL2093083 | 0.73 | GAA (0.43) | GAANPC1G6PDMAPTALDH1A1 | |
| SCHEMBL10946042 | 0.73 | GAA (0.48) | GAANPC1TAAR1CYP3A4G6PD |
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-2838891-A1 | AROMATIC RING COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-02-25 | — | — | EP | disclosed |
| WO-2013125732-A1 | AROMATIC RING COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-08-29 | — | — | WO | disclosed |