Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPX4 | P36969 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | PANK3 | Q9H999 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | ITK | Q08881 | 2/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21177683 | 1.00 | GPX4 (0.37) | GPX4HRH3MAPTPANK3TP53 | |
| SCHEMBL25804225 | 0.89 | MAPT (0.37) | HRH3MAPTPANK3TP53SMN1; SMN2 | |
| SCHEMBL21177335 | 0.86 | BTK (0.34) | GPX4HRH3MAPTALDH1A1KMT2A | |
| SCHEMBL28477844 | 0.86 | BTK (0.34) | GPX4HRH3MAPTALDH1A1KMT2A | |
| SCHEMBL29266469 | 0.81 | HRH3 (0.32) | HRH3MAPTPANK3TP53SMN1; SMN2 | |
| SCHEMBL21184121 | 0.81 | LMNA (0.41) | HRH3MAPTTP53SMN1; SMN2KMT2A | |
| SCHEMBL21177833 | 0.79 | MEN1 (0.34) | HRH3MAPTPANK3TP53SMN1; SMN2 | |
| SCHEMBL21184123 | 0.79 | KMT2A (0.38) | HRH3MAPTPANK3TP53SMN1; SMN2 | |
| SCHEMBL21177393 | 0.79 | ABL1 (0.36) | HRH3MAPTSMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL25804233 | 0.79 | GPR183 (0.37) | GPX4HRH3MAPTPANK3TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111902403-B | Substituted alkynylene compounds as anticancer agents | 奥里吉恩发现科技有限公司 | 2024-05-17 | — | — | CN | disclosed |
| CN-111902403-A | Substituted alkynylene compounds as anticancer agents | 奥里吉恩发现科技有限公司 | 2020-11-06 | — | — | CN | disclosed |