Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.71 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | CES2 | O00748 | 4/20 | 0.50 |
| ▸ | CES1 | P23141 | 4/20 | 0.50 |
| ▸ | APP | P05067 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SNCA | P37840 | 1/20 | 0.47 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11279441 | 1.00 | ALDH1A1 (0.71) | ALDH1A1KDM4ETSHRHSD17B10KMT2A | |
| SCHEMBL20943429 | 0.92 | ALDH1A1 (0.83) | ALDH1A1KDM4ETSHRHSD17B10KMT2A | |
| SCHEMBL15680018 | 0.86 | CES2 (0.63) | ALDH1A1KDM4ETSHRHSD17B10CES2 | |
| SCHEMBL5444935 | 0.86 | CES2 (0.63) | ALDH1A1KDM4ETSHRHSD17B10CES2 | |
| SCHEMBL67250 | 0.85 | ALDH1A1 (0.73) | ALDH1A1KDM4ETSHRHSD17B10KMT2A | |
| SCHEMBL29247977 | 0.84 | ALDH1A1 (0.71) | ALDH1A1KDM4ETSHRHSD17B10KMT2A | |
| SCHEMBL67861 | 0.83 | ALDH1A1 (1.00) | ALDH1A1KDM4ETSHRHSD17B10KMT2A | |
| SCHEMBL67860 | 0.83 | ALDH1A1 (0.87) | ALDH1A1KDM4ETSHRHSD17B10KMT2A | |
| SCHEMBL11279590 | 0.82 | CES2 (0.66) | ALDH1A1KDM4ETSHRHSD17B10KMT2A | |
| SCHEMBL11279596 | 0.82 | ALDH1A1 (0.68) | ALDH1A1KDM4ETSHRHSD17B10KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115947711-B | Photochemical caching agent and synthesis method thereof | 上海泰辉生物科技有限公司 | 2024-06-11 | — | — | CN | disclosed |
| US-4344954-A | DIURETICS | AMERICAN CYANAMID COMPANY (US) | 1982-08-17 | — | — | US | disclosed |