Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22773500 | 0.89 | ALDH1A1 (0.43) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL4016651 | 0.85 | ALDH1A1 (0.43) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL30079506 | 0.85 | ALDH1A1 (0.43) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL24537117 | 0.83 | ALDH1A1 (0.40) | ALDH1A1MAPTLMNASMN1; SMN2ADORA3 | |
| SCHEMBL7515726 | 0.82 | ALDH1A1 (0.60) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL31074656 | 0.82 | L3MBTL1 (0.45) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL18131250 | 0.81 | MAPT (0.39) | ALDH1A1MAPTLMNAPOLBPTGS1 | |
| SCHEMBL27139104 | 0.81 | ALDH1A1 (0.35) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL15726277 | 0.81 | NPC1 (0.37) | ALDH1A1MAPTLMNASMN1; SMN2ADORA3 | |
| SCHEMBL26964472 | 0.81 | ADORA3 (0.41) | ALDH1A1MAPTLMNASMN1; SMN2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023242228-A1 | 4-SUBSTITUTED (1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLES AS BUB1 INHIBITORS USEFUL FOR TREATING CANCERS | UNIVERSITEIT LEIDEN (NL) | 2023-12-21 | — | — | WO | disclosed |
| EP-4293019-A1 | 4-SUBSTITUTED (1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLES AS BUB1 INHIBITORS USEFUL FOR TREATING CANCERS | Netherlands Translational Research Center Holding B.V. (NL) | 2023-12-20 | — | — | EP | disclosed |