Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | VDR | P11473 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17865544 | 0.80 | KMT2A (0.44) | SMN1; SMN2KMT2AGAAALDH1A1CYP3A4 | |
| SCHEMBL2341926 | 0.78 | SMN1; SMN2 (0.48) | SMN1; SMN2KMT2AGAAALDH1A1CYP3A4 | |
| SCHEMBL26136014 | 0.77 | KMT2A (0.45) | SMN1; SMN2KMT2AGAAALDH1A1CYP3A4 | |
| SCHEMBL12027407 | 0.76 | ALDH1A1 (0.50) | SMN1; SMN2KMT2AGAAALDH1A1CYP3A4 | |
| SCHEMBL29927 | 0.76 | ALDH1A1 (0.50) | SMN1; SMN2KMT2AGAAALDH1A1CYP3A4 | |
| SCHEMBL7056971 | 0.74 | SMN1; SMN2 (0.53) | SMN1; SMN2KMT2AGAAALDH1A1CYP3A4 | |
| SCHEMBL11332992 | 0.74 | SMN1; SMN2 (0.49) | SMN1; SMN2KMT2AGAAALDH1A1CYP3A4 | |
| SCHEMBL10097184 | 0.73 | SMN1; SMN2 (0.38) | SMN1; SMN2KMT2AGAAALDH1A1CYP3A4 | |
| SCHEMBL22209113 | 0.73 | GAA (0.45) | SMN1; SMN2KMT2AGAAALDH1A1CYP3A4 | |
| SCHEMBL20486 | 0.73 | GAA (0.45) | SMN1; SMN2KMT2AGAAALDH1A1CYP3A4 |
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-114539245-A | Pyrimidine-fused ring derivative-containing regulator, and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-05-27 | — | — | CN | disclosed |