Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 4/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CTSG | P08311 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | APOL1 | O14791 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27305125 | 1.00 | PDK1 (0.47) | PDK1PDK2PDK3L3MBTL1LRRK2 | |
| SCHEMBL9192532 | 1.00 | PDK1 (0.47) | PDK1PDK2PDK3L3MBTL1LRRK2 | |
| SCHEMBL20101959 | 0.82 | SIGMAR1 (0.33) | PDK1PDK2PDK3L3MBTL1SIGMAR1 | |
| SCHEMBL9382425 | 0.80 | FKBP1A (0.39) | SIGMAR1ERN1CHRM1TSHRELANE | |
| SCHEMBL20101960 | 0.79 | CYP19A1 (0.36) | PDK1PDK2PDK3SIGMAR1ERN1 | |
| SCHEMBL9382048 | 0.79 | CA12 (0.35) | PDK1PDK2PDK3SIGMAR1ERN1 | |
| SCHEMBL12311395 | 0.78 | PDK1 (0.48) | PDK1PDK2PDK3L3MBTL1LRRK2 | |
| SCHEMBL8865107 | 0.78 | POLB (0.54) | L3MBTL1SIGMAR1CHRM1ELANECTSG | |
| SCHEMBL8865091 | 0.78 | POLB (0.54) | L3MBTL1SIGMAR1CHRM1ELANECTSG | |
| SCHEMBL31390235 | 0.77 | PDK1 (0.53) | PDK1PDK2PDK3L3MBTL1LRRK2 |
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-113454058-A | Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound comprising the same, and method for producing the same | 中外制药株式会社 | 2021-09-28 | — | — | CN | disclosed |