Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 18/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.47 |
| ▸ | RELA | Q04206 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27361424 | 0.89 | MAPT (0.42) | MRGPRX4SMN1; SMN2RAB9A | |
| SCHEMBL27361103 | 0.86 | MRGPRX4 (0.53) | MRGPRX4TP53PKMNFKB1NFKB2 | |
| SCHEMBL31695370 | 0.86 | MRGPRX4 (0.53) | MRGPRX4TP53PKMNFKB1NFKB2 | |
| SCHEMBL27363115 | 0.84 | MRGPRX4 (0.65) | MRGPRX4 | |
| SCHEMBL27361258 | 0.78 | PTPN7 (0.54) | MRGPRX4SMN1; SMN2RAB9A | |
| SCHEMBL27363012 | 0.76 | MRGPRX4 (0.69) | MRGPRX4TP53PKMNFKB1NFKB2 | |
| SCHEMBL27363021 | 0.76 | MRGPRX4 (0.69) | MRGPRX4TP53PKMNFKB1NFKB2 | |
| SCHEMBL16829529 | 0.76 | MAPT (0.61) | NFKB1NFKB2RELASMN1; SMN2RAB9A | |
| SCHEMBL31695373 | 0.76 | ALOX5AP (0.43) | MRGPRX4SMN1; SMN2RAB9A | |
| SCHEMBL27361439 | 0.76 | ALOX5AP (0.43) | MRGPRX4SMN1; SMN2RAB9A |
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 |