Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.41 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.40 |
| ▸ | CHRNG | P07510 | 1/20 | 0.40 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2627846 | 0.86 | ACE2 (0.56) | CES2CES1CYP1A2TSHRHDAC6 | |
| SCHEMBL24685741 | 0.86 | CES2 (0.45) | CES2CES1HDAC6ACE2CHRNA1 | |
| SCHEMBL4734628 | 0.85 | PARP1 (0.44) | CES2CES1HDAC6ACE2CHRNA1 | |
| SCHEMBL12263286 | 0.82 | CA1 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL16803973 | 0.82 | HDAC6 (0.47) | CES2CES1TSHRHDAC6HTT | |
| SCHEMBL19766510 | 0.82 | HSP90AA1 (0.43) | CES2CES1HDAC6ACE2CHRNA1 | |
| SCHEMBL16958793 | 0.82 | CES2 (0.39) | CES2CES1GABRA1GABRB1CYP1A2 | |
| SCHEMBL15315482 | 0.81 | GABRA1 (0.53) | GABRA1GABRB1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL24370743 | 0.80 | CES2 (0.40) | CES2CES1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8075446 | 0.79 | GABRA1 (0.61) | CES2CES1GABRA1GABRB1HSD17B14 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103517910-B | Morpholine-spirocyclic piperidine amides as modulators of ion channels | 沃泰克斯药物股份有限公司 | 2016-12-14 | — | — | CN | disclosed |