Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.46 |
| ▸ | TOP2A | P11388 | 1/20 | 0.45 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.45 |
| ▸ | IKBKB | O14920 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | FLT1 | P17948 | 1/20 | 0.40 |
| ▸ | FLT4 | P35916 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PRKCI | P41743 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL3150743 | 0.83 | PDK1 (0.49) | PDK1PDK2PDK3PDK4TOP2A | |
| SCHEMBL16590399 | 0.82 | RAPGEF4 (0.51) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20027769 | 0.80 | HTR6 (0.47) | ALDH1A1ENPP2SMN1; SMN2 | |
| SCHEMBL27815971 | 0.80 | PDK1 (0.46) | PDK1PDK2PDK3PDK4TOP2A | |
| SCHEMBL7258875 | 0.77 | ALDH1A1 (0.47) | ALDH1A1KDRTSHRKDM1ARCOR1 | |
| SCHEMBL10708264 | 0.77 | TOP2A (0.49) | PDK1PDK2PDK3PDK4TOP2A | |
| SCHEMBL3103338 | 0.76 | PDK1 (0.46) | PDK1PDK2PDK3PDK4TOP2A | |
| SCHEMBL23197732 | 0.76 | NOS3 (0.35) | PDK1PDK2PDK3PDK4MAPT | |
| SCHEMBL4354231 | 0.75 | TOP2A (0.47) | PDK1PDK2PDK3PDK4TOP2A | |
| SCHEMBL3103283 | 0.74 | TDP1 (0.48) | PDK1PDK2PDK3PDK4TOP2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018064119-A1 | CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF | BLADE THERAPEUTICS, INC. (US) | 2018-04-05 | — | — | WO | disclosed |