Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | CDC25A | P30304 | 2/20 | 0.33 |
| ▸ | CDC25B | P30305 | 2/20 | 0.33 |
| ▸ | CDC25C | P30307 | 2/20 | 0.33 |
| ▸ | ATR | Q13535 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | UBE2I | P63279 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8369468 | 0.88 | MALT1 (0.45) | S100A4CDC25ACDC25BCDC25CATR | |
| SCHEMBL8370510 | 0.82 | S100A4 (0.46) | S100A4MAPTBLMCASP1CASP7 | |
| SCHEMBL8368658 | 0.76 | S100A4 (0.44) | S100A4MAPTCDC25ACDC25BCDC25C | |
| SCHEMBL8371649 | 0.76 | S100A4 (0.48) | S100A4MAPTCDC25ACDC25BCDC25C | |
| SCHEMBL8367303 | 0.72 | CDK4 (0.45) | MAPTATRBLMTP53SMN1; SMN2 | |
| SCHEMBL8368655 | 0.71 | MALT1 (0.41) | S100A4MAPTCDC25ACDC25BCDC25C | |
| SCHEMBL8367274 | 0.70 | S100A4 (0.56) | S100A4MAPTCDC25ACDC25BCDC25C | |
| SCHEMBL8369500 | 0.68 | ALDH1A1 (0.44) | MAPTATRBLMCASP1CASP7 | |
| SCHEMBL8368881 | 0.65 | S100A4 (0.49) | S100A4MAPTBLMCASP1CASP7 | |
| SCHEMBL8370523 | 0.64 | S100A4 (0.51) | S100A4MAPTBLMCASP1CASP7 |
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-1999052365-A1 | ANTICANCER AGENTS | ELI LILLY AND COMPANY (US) | 1999-10-21 | — | — | WO | disclosed |