Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN7 | P35236 | 1/20 | 0.54 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.53 |
| ▸ | STS | P08842 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | MAOB | P27338 | 5/20 | 0.49 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL31695369 | 1.00 | PTPN7 (0.54) | PTPN7MRGPRX4STSNPC1RAB9A | |
| SCHEMBL30694672 | 0.87 | PTPN7 (0.50) | PTPN7STSNPC1RAB9AMAOB | |
| SCHEMBL27361258 | 0.87 | PTPN7 (0.54) | PTPN7MRGPRX4STSNPC1RAB9A | |
| SCHEMBL2107596 | 0.82 | ALDH2 (0.54) | MRGPRX4MAOBALDH1A1MAOA | |
| SCHEMBL30562191 | 0.82 | ALDH2 (0.54) | MRGPRX4MAOBALDH1A1MAOA | |
| SCHEMBL29434200 | 0.82 | ALDH2 (0.54) | MRGPRX4MAOBALDH1A1MAOA | |
| SCHEMBL2106198 | 0.80 | MRGPRX4 (0.48) | MRGPRX4NPC1RAB9AMAOBHPGD | |
| SCHEMBL31695370 | 0.78 | MRGPRX4 (0.53) | MRGPRX4NPC1RAB9AHPGDSMN1; SMN2 | |
| SCHEMBL27361103 | 0.78 | MRGPRX4 (0.53) | MRGPRX4NPC1RAB9AHPGDSMN1; SMN2 | |
| SCHEMBL2107782 | 0.75 | ALDH2 (0.51) | MAOBALDH1A1MAOA |
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 |