Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACKR3 | P25106 | 10/20 | 0.52 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.48 |
| ▸ | PPARG | P37231 | 2/20 | 0.45 |
| ▸ | PPARA | Q07869 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | HTR1D | P28221 | 2/20 | 0.42 |
| ▸ | HTR1B | P28222 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28004463 | 0.91 | ACKR3 (0.51) | ACKR3KDM4EALDH1A1MAPTHTR1A | |
| SCHEMBL28004609 | 0.90 | ACKR3 (0.53) | ACKR3ALDH1A1MAPTHTR1AHTR1D | |
| SCHEMBL28004536 | 0.89 | ACKR3 (0.53) | ACKR3KDM4EALDH1A1MAPTHTR1A | |
| SCHEMBL28004606 | 0.88 | ACKR3 (0.53) | ACKR3KDM4EALDH1A1MAPTHTR1A | |
| SCHEMBL28004871 | 0.87 | ACKR3 (0.51) | ACKR3KDM4EALDH1A1MAPTTDP1 | |
| SCHEMBL28004458 | 0.86 | ACKR3 (0.52) | ACKR3HTR1AHTR1DHTR1B | |
| SCHEMBL28004478 | 0.86 | ACKR3 (0.52) | ACKR3ALDH1A1KCNH2 | |
| SCHEMBL28004883 | 0.86 | ACKR3 (0.51) | ACKR3ALDH1A1 | |
| SCHEMBL28004508 | 0.86 | ACKR3 (0.51) | ACKR3HTR1AHTR1DHTR1BDRD2 | |
| SCHEMBL28948487 | 0.86 | ACKR3 (0.53) | ACKR3KDM4EMAPTHTR1AHTR1D |
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 |