Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SIRT3 | Q9NTG7 | 3/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL22165526 | 1.00 | PTPN1 (0.35) | PTPN1ALDH1A1LMNATP53TSHR | |
| SCHEMBL23967385 | 0.96 | PTPN1 (0.38) | PTPN1ALDH1A1LMNATP53TSHR | |
| SCHEMBL22164722 | 0.89 | ALDH1A1 (0.37) | ALDH1A1LMNATP53TSHRMAPK1 | |
| SCHEMBL23967369 | 0.89 | PTPN1 (0.35) | PTPN1TSHRKDM4ESIRT3ABCB1 | |
| Hydrochloric Acid SCHEMBL22164705 | 0.88 | ALDH1A1 (0.39) | ALDH1A1LMNATP53TSHRMAPK1 | |
| SCHEMBL23967393 | 0.86 | ABCB1 (0.45) | ALDH1A1LMNATP53TSHRMAPK1 | |
| SCHEMBL22165524 | 0.83 | MTNR1A (0.38) | PTPN1ALDH1A1LMNATP53TSHR | |
| SCHEMBL23967364 | 0.83 | ALDH1A1 (0.38) | ALDH1A1LMNATP53TSHRMAPK1 | |
| SCHEMBL24939951 | 0.80 | CNR2 (0.35) | PTPN1 | |
| SCHEMBL22165407 | 0.80 | MAPT (0.36) | ALDH1A1LMNATP53TSHRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3903786-A1 | NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR ENHANCING ANTICANCER ACTIVITY | Holosmedic (KR) | 2021-11-03 | — | — | EP | disclosed |