Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL104727 | 0.88 | IRAK4 (0.48) | IRAK4ALDH1A1ACHEHPGDNISCH | |
| SCHEMBL31490450 | 0.88 | IRAK4 (0.48) | IRAK4ALDH1A1ACHEHPGDNISCH | |
| SCHEMBL28883167 | 0.86 | IRAK4 (0.47) | IRAK4ALDH1A1ACHEHPGDNISCH | |
| Ammonia Solution, Strong SCHEMBL5891986 | 0.86 | IRAK4 (0.47) | IRAK4ALDH1A1ACHEHPGDNISCH | |
| Hydrochloric Acid SCHEMBL4624005 | 0.86 | IRAK4 (0.47) | IRAK4ALDH1A1ACHEHPGDNISCH | |
| SCHEMBL28700751 | 0.80 | IRAK4 (0.43) | IRAK4ALDH1A1ACHEHPGDNISCH | |
| SCHEMBL11525534 | 0.76 | TSHR (0.40) | ALDH1A1HPGDNISCHCYP1A2TSHR | |
| SCHEMBL30092827 | 0.76 | MAPT (0.54) | IRAK4ALDH1A1ACHECYP1A2MAPT | |
| SCHEMBL17662362 | 0.76 | MAPT (0.54) | IRAK4ALDH1A1ACHECYP1A2MAPT | |
| SCHEMBL515976 | 0.75 | CYP1A2 (0.48) | ALDH1A1HPGDNISCHCYP1A2TSHR |
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 |