Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PLK1 | P53350 | 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 | |
|---|---|---|---|---|
| SCHEMBL11852003 | 1.00 | MCL1 (0.47) | MCL1SMN1; SMN2GAAL3MBTL1NPC1 | |
| SCHEMBL1020499 | 0.80 | MCL1 (0.56) | MCL1SMN1; SMN2GAAL3MBTL1NPC1 | |
| SCHEMBL22514066 | 0.80 | MCL1 (0.47) | MCL1SMN1; SMN2GAAL3MBTL1NPC1 | |
| SCHEMBL7572980 | 0.79 | GAA (0.49) | MCL1SMN1; SMN2GAAL3MBTL1NPC1 | |
| SCHEMBL12726114 | 0.78 | MCL1 (0.46) | MCL1SMN1; SMN2GAAL3MBTL1NPC1 | |
| SCHEMBL7867188 | 0.78 | CYP11B1 (0.47) | MCL1SMN1; SMN2GAAL3MBTL1NPC1 | |
| SCHEMBL19434336 | 0.78 | MCL1 (0.46) | MCL1SMN1; SMN2GAAL3MBTL1NPC1 | |
| SCHEMBL8017606 | 0.78 | MAOB (0.42) | SMN1; SMN2NPC1RAB9AMAPK1ALDH1A1 | |
| SCHEMBL28508835 | 0.78 | MAOA (0.42) | MAPK1ALDH1A1HPGDTSHR | |
| SCHEMBL5431310 | 0.76 | MCL1 (0.72) | MCL1SMN1; SMN2MAPK1ALDH1A1HPGD |
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-3653613-B1 | 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF | BEBETTER MED INC (CN) | 2022-11-16 | — | — | EP | disclosed |