Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | RAB9A | P51151 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.31 |
| ▸ | RELA | Q04206 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.30 |
| ▸ | MET | P08581 | 1/20 | 0.30 |
| ▸ | LTK | P29376 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL798504 | 0.81 | ADORA3 (0.32) | ALOX15 | |
| SCHEMBL3460400 | 0.76 | ALOX15 (0.53) | ALOX15L3MBTL1TP53NPC1TSHR | |
| SCHEMBL2998557 | 0.73 | ALOX15 (0.40) | ALOX15MAPK9MAPK10L3MBTL1NPC1 | |
| SCHEMBL14046222 | 0.70 | MAPK9 (0.41) | ALOX15MAPK9MAPK10L3MBTL1TP53 | |
| SCHEMBL8809096 | 0.67 | MAPK9 (0.39) | ALOX15MAPK9MAPK10TP53NPC1 | |
| SCHEMBL13390894 | 0.67 | ALOX15 (0.47) | ALOX15L3MBTL1TP53NPC1TSHR | |
| SCHEMBL21196913 | 0.65 | MAPK9 (0.47) | ALOX15MAPK9MAPK10L3MBTL1TP53 | |
| SCHEMBL12617350 | 0.63 | — | — | |
| SCHEMBL12970016 | 0.63 | DHODH (0.38) | TP53NPC1TSHRRAB9AALDH1A1 | |
| SCHEMBL20201256 | 0.63 | NPSR1 (0.37) | TP53NPC1RAB9ASMN1; SMN2ALDH1A1 |
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-2023235753-A2 | ALDH2 INHIBITORS AND METHODS OF USE THEREOF | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2023-12-07 | — | — | WO | disclosed |