Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.52 |
| ▸ | NPC1 | O15118 | 6/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.44 |
| ▸ | RELA | Q04206 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28832949 | 0.80 | PDK1 (0.51) | RAB9ANPC1SMN1; SMN2ALDH1A1PDK1 | |
| SCHEMBL28333337 | 0.78 | GAA (0.49) | RAB9ANPC1ALDH1A1GAAMEN1 | |
| SCHEMBL29179667 | 0.78 | RAB9A (0.48) | RAB9ANPC1SMN1; SMN2ALDH1A1PDK1 | |
| SCHEMBL27697891 | 0.77 | MAPT (0.40) | RAB9ANPC1SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL29290654 | 0.77 | TOP1 (0.41) | RAB9ANPC1SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL28197116 | 0.77 | CYP1A2 (0.46) | RAB9ANPC1ALDH1A1PDK1PDK2 | |
| SCHEMBL25502829 | 0.77 | HDAC1 (0.46) | RAB9ANPC1ALDH1A1GAAMEN1 | |
| SCHEMBL8121555 | 0.77 | ALDH1A1 (0.55) | SMN1; SMN2ALDH1A1MEN1KMT2AHTT | |
| SCHEMBL5925582 | 0.76 | KDM4E (0.50) | ALDH1A1MEN1KMT2APKMKDM4E | |
| SCHEMBL28333323 | 0.76 | KMT2A (0.53) | RAB9ANPC1SMN1; SMN2ALDH1A1GAA |
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-106257976-A | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2016-12-28 | — | — | CN | disclosed |