Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACKR3 | P25106 | 8/20 | 0.50 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 4/20 | 0.41 |
| ▸ | HTR1D | P28221 | 2/20 | 0.41 |
| ▸ | HTR1B | P28222 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL28817720 | 0.91 | ACKR3 (0.52) | ACKR3AURKARPS6KB1HTR1AHTR1D | |
| SCHEMBL28004508 | 0.90 | ACKR3 (0.51) | ACKR3HTR1AHTR1DHTR1BDRD2 | |
| SCHEMBL28004458 | 0.89 | ACKR3 (0.52) | ACKR3AURKARPS6KB1HTR1AHTR1D | |
| SCHEMBL28004883 | 0.85 | ACKR3 (0.51) | ACKR3ROCK2 | |
| SCHEMBL28004463 | 0.85 | ACKR3 (0.51) | ACKR3HTR1AHTR1DHTR1BDRD2 | |
| SCHEMBL28004871 | 0.84 | ACKR3 (0.51) | ACKR3HTR1AHTR1DHTR1BDRD2 | |
| SCHEMBL28004968 | 0.84 | ACKR3 (0.51) | ACKR3HTR1AHTR1DHTR1BDRD2 | |
| SCHEMBL28004598 | 0.84 | ACKR3 (0.51) | ACKR3HTR1ADRD2POLB | |
| SCHEMBL28004609 | 0.83 | ACKR3 (0.53) | ACKR3AURKARPS6KB1HTR1AHTR1D | |
| SCHEMBL28004478 | 0.83 | ACKR3 (0.52) | ACKR3KCNH2ROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104395302-A | 1- [ m-carboxamido (hetero) aryl-methyl ] -heterocyclyl-carboxamide derivatives | ACTELION PHARMACEUTICALS LTD | 2015-03-04 | — | — | CN | claimed |
| CN-104395302-A | 1- [ m-carboxamido (hetero) aryl-methyl ] -heterocyclyl-carboxamide derivatives | ACTELION PHARMACEUTICALS LTD | 2015-03-04 | — | — | CN | disclosed |