Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.52 |
| ▸ | TP53 | P04637 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.51 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.51 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.51 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29040439 | 1.00 | MAPT (0.52) | MAPTTSHRTP53NPC1RAB9A | |
| SCHEMBL22075942 | 0.90 | TSHR (0.56) | MAPTTSHRTP53NPC1RAB9A | |
| SCHEMBL30369541 | 0.90 | TSHR (0.56) | MAPTTSHRTP53NPC1RAB9A | |
| SCHEMBL30457737 | 0.89 | PDK1 (0.64) | MAPTTSHRTP53NPC1RAB9A | |
| SCHEMBL30457883 | 0.89 | ALDH1A1 (0.52) | MAPTTSHRTP53NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL30457727 | 0.88 | PDK1 (0.62) | MAPTTSHRTP53NPC1RAB9A | |
| Sulfuric Acid SCHEMBL30458029 | 0.86 | PDK1 (0.60) | MAPTTSHRTP53NPC1RAB9A | |
| Phosphoric Acid SCHEMBL30457871 | 0.85 | PDK1 (0.59) | MAPTTSHRTP53NPC1RAB9A | |
| SCHEMBL22075960 | 0.84 | MAPT (0.48) | MAPTTSHRTP53NPC1RAB9A | |
| SCHEMBL30369865 | 0.84 | MAPT (0.48) | MAPTTSHRTP53NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-116444494-A | Compound for targeted degradation of BUB1B and BUB1 protein, and preparation method and application thereof | 浙江大学 | 2023-07-18 | — | — | CN | disclosed |