Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.70 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.70 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MDM4 | O15151 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1738490 | 1.00 | MAPT (0.70) | MAPTHDAC8CA12CA1CA2 | |
| Water SCHEMBL28883133 | 0.98 | MAPT (0.67) | MAPTHDAC8CA12CA1CA2 | |
| SCHEMBL28195614 | 0.98 | MAPT (0.67) | MAPTHDAC8CA12CA1CA2 | |
| SCHEMBL28855210 | 0.98 | MAPT (0.67) | MAPTHDAC8CA12CA1CA2 | |
| Thiosalicylic Acid SCHEMBL28933918 | 0.83 | MAPT (0.91) | MAPTHDAC8CA12CA1CA2 | |
| Thiosalicylic Acid SCHEMBL3073817 | 0.83 | MAPT (0.91) | MAPTHDAC8CA12CA1CA2 | |
| Thiosalicylic Acid SCHEMBL31208541 | 0.82 | MAPT (1.00) | MAPTHDAC8CA12CA1CA2 | |
| Thiosalicylic Acid SCHEMBL28313023 | 0.82 | MAPT (1.00) | MAPTHDAC8CA12CA1CA2 | |
| Thiosalicylic Acid SCHEMBL629705 | 0.82 | MAPT (1.00) | MAPTHDAC8CA12CA1CA2 | |
| Thiosalicylic Acid SCHEMBL50376 | 0.82 | MAPT (1.00) | MAPTHDAC8CA12CA1CA2 |
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-114956933-A | Marker containing isotope oxygen atom and preparation method and application thereof | 清华大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-112321477-B | 3, 5-dimethyl-4-sulfuryl-1H-pyrrole compound, preparation method and application | 中国药科大学 | 2022-07-12 | — | — | CN | disclosed |