Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACKR3 | P25106 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15202846 | 0.85 | ACKR3 (0.47) | ACKR3ALDH1A1SMN1; SMN2DRD2HTR2A | |
| SCHEMBL25443829 | 0.85 | SMN1; SMN2 (0.39) | ACKR3ALDH1A1SMN1; SMN2DRD2HTR2A | |
| SCHEMBL16522418 | 0.84 | SMN1; SMN2 (0.50) | ALDH1A1SMN1; SMN2DRD2HTR2ADRD3 | |
| SCHEMBL25844353 | 0.83 | ALDH1A1 (0.49) | ACKR3ALDH1A1HRH3CYP2D6SMN1; SMN2 | |
| SCHEMBL24953098 | 0.83 | ACKR3 (0.51) | ACKR3ALDH1A1HRH3CYP2D6SMN1; SMN2 | |
| SCHEMBL12719747 | 0.81 | ALDH1A1 (0.50) | ACKR3ALDH1A1HRH3CYP2D6MAPT | |
| SCHEMBL20730856 | 0.81 | SMN1; SMN2 (0.62) | ALDH1A1SMN1; SMN2GAARAB9A | |
| SCHEMBL21745495 | 0.81 | SMN1; SMN2 (0.57) | ALDH1A1SMN1; SMN2CNR1CNR2GAA | |
| SCHEMBL13300923 | 0.80 | ALDH1A1 (0.49) | ACKR3ALDH1A1HRH3CYP2D6MAPT | |
| SCHEMBL13780590 | 0.80 | SMN1; SMN2 (0.62) | ALDH1A1SMN1; SMN2GAARAB9A |
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-1341755-A1 | CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS | MERCK PATENT GmbH (DE) | 2003-09-10 | — | — | EP | disclosed |
| WO-2002048099-A1 | CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS | MERCK PATENT GMBH (DE) | 2002-06-20 | — | — | WO | disclosed |