Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 4/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28578527 | 0.85 | KCNK3 (0.39) | CA1CA2ACHEHTR2ASLC6A4 | |
| SCHEMBL28576077 | 0.85 | KCNK3 (0.39) | CA1CA2ACHEHTR2ASLC6A4 | |
| SCHEMBL28576079 | 0.85 | KCNK3 (0.39) | CA1CA2ACHEHTR2ASLC6A4 | |
| SCHEMBL28578530 | 0.85 | KCNK3 (0.39) | CA1CA2ACHEHTR2ASLC6A4 | |
| SCHEMBL21459049 | 0.81 | LMNA (0.36) | HTR2ASLC6A4CYP2D6HPGDSMN1; SMN2 | |
| SCHEMBL21405086 | 0.81 | LMNA (0.36) | HTR2ASLC6A4CYP2D6HPGDSMN1; SMN2 | |
| SCHEMBL21405088 | 0.81 | LMNA (0.36) | HTR2ASLC6A4CYP2D6HPGDSMN1; SMN2 | |
| SCHEMBL21459051 | 0.81 | LMNA (0.36) | HTR2ASLC6A4CYP2D6HPGDSMN1; SMN2 | |
| SCHEMBL2004178 | 0.81 | LMNA (0.36) | HTR2ASLC6A4CYP2D6HPGDSMN1; SMN2 | |
| SCHEMBL29138194 | 0.81 | CYP2D6 (0.43) | CA1CA2ACHECYP2D6HPGD |
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-111518166-B | Peptidomimetics compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 中国药科大学 | 2023-01-31 | — | — | CN | disclosed |