Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 8/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.50 |
| ▸ | MAPT | P10636 | 6/20 | 0.50 |
| ▸ | RAB9A | P51151 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5012213 | 0.86 | TP53 (0.50) | TP53SMN1; SMN2MAPTRAB9ANPC1 | |
| SCHEMBL1033020 | 0.85 | TP53 (0.57) | TP53SMN1; SMN2MAPTRAB9ANPC1 | |
| SCHEMBL29925538 | 0.85 | SMN1; SMN2 (0.53) | TP53SMN1; SMN2MAPTRAB9ANPC1 | |
| SCHEMBL7498217 | 0.83 | TP53 (0.42) | TP53SMN1; SMN2MAPTRAB9ANPC1 | |
| SCHEMBL27361295 | 0.78 | KMT2A (0.51) | TP53SMN1; SMN2MAPTRAB9ANPC1 | |
| SCHEMBL1986921 | 0.77 | SMN1; SMN2 (0.57) | TP53SMN1; SMN2MAPTRAB9ANPC1 | |
| SCHEMBL27362944 | 0.77 | SMN1; SMN2 (0.41) | TP53SMN1; SMN2MAPTRAB9ANPC1 | |
| SCHEMBL29925367 | 0.73 | SMN1; SMN2 (0.48) | TP53SMN1; SMN2MAPTRAB9ANPC1 | |
| SCHEMBL1691391 | 0.72 | SMN1; SMN2 (0.49) | TP53SMN1; SMN2MAPTRAB9ANPC1 | |
| SCHEMBL3062056 | 0.72 | TP53 (0.53) | TP53SMN1; SMN2MAPTRAB9ANPC1 |
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 |