Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACKR3 | P25106 | 2/20 | 0.53 |
| ▸ | HTR1A | P08908 | 2/20 | 0.53 |
| ▸ | HTR1D | P28221 | 2/20 | 0.53 |
| ▸ | HTR1B | P28222 | 2/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | QSOX1 | O00391 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.45 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.45 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.45 |
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 | 0.94 | ACKR3 (0.53) | ACKR3HTR1AHTR1DHTR1BHRH3 | |
| SCHEMBL28004536 | 0.93 | ACKR3 (0.53) | ACKR3HTR1AHTR1DHTR1BHRH3 | |
| SCHEMBL28004871 | 0.89 | ACKR3 (0.51) | ACKR3HTR1AHTR1DHTR1BHRH3 | |
| SCHEMBL28004463 | 0.86 | ACKR3 (0.51) | ACKR3HTR1AHTR1DHTR1BHRH3 | |
| SCHEMBL28004844 | 0.85 | ACKR3 (0.53) | ACKR3HTR1AHTR1DHTR1BMAPT | |
| SCHEMBL28004478 | 0.85 | ACKR3 (0.52) | ACKR3ALDH1A1ROCK2 | |
| SCHEMBL28004458 | 0.85 | ACKR3 (0.52) | ACKR3HTR1AHTR1DHTR1BROCK2 | |
| SCHEMBL28004504 | 0.85 | ACKR3 (0.52) | ACKR3HTR1AHTR1DHTR1BMAPT | |
| SCHEMBL28004609 | 0.85 | ACKR3 (0.53) | ACKR3HTR1AHTR1DHTR1BTRPV1 | |
| SCHEMBL28004508 | 0.85 | ACKR3 (0.51) | ACKR3HTR1AHTR1DHTR1BROCK2 |
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 |