Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACKR3 | P25106 | 4/20 | 0.53 |
| ▸ | HTR1A | P08908 | 2/20 | 0.53 |
| ▸ | HTR1D | P28221 | 2/20 | 0.53 |
| ▸ | HTR1B | P28222 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.46 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 4/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 4/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28948487 | 0.93 | ACKR3 (0.53) | ACKR3HTR1AHTR1DHTR1BNPC1 | |
| SCHEMBL28004965 | 0.93 | ACKR3 (0.53) | ACKR3HTR1AHTR1DHTR1BNPC1 | |
| SCHEMBL28004463 | 0.91 | ACKR3 (0.51) | ACKR3HTR1AHTR1DHTR1BRAB9A | |
| SCHEMBL28004609 | 0.89 | ACKR3 (0.53) | ACKR3HTR1AHTR1DHTR1BNPC1 | |
| SCHEMBL28004504 | 0.89 | ACKR3 (0.52) | ACKR3HTR1AHTR1DHTR1BKDM4E | |
| SCHEMBL28004606 | 0.88 | ACKR3 (0.53) | ACKR3HTR1AHTR1DHTR1BRAB9A | |
| SCHEMBL28004871 | 0.86 | ACKR3 (0.51) | ACKR3HTR1AHTR1DHTR1BRAB9A | |
| SCHEMBL28004844 | 0.86 | ACKR3 (0.53) | ACKR3HTR1AHTR1DHTR1BNPC1 | |
| SCHEMBL28004458 | 0.86 | ACKR3 (0.52) | ACKR3HTR1AHTR1DHTR1BAURKA | |
| SCHEMBL28004883 | 0.85 | ACKR3 (0.51) | ACKR3ALDH1A1 |
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 |