Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | TYR | P14679 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | PDIA6 | Q15084 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30892432 | 1.00 | CA2 (0.46) | CA2TSHRTYRMEN1CYP3A4 | |
| SCHEMBL27693512 | 0.95 | CA2 (0.45) | CA2TSHRTYRMEN1CYP3A4 | |
| SCHEMBL4673949 | 0.87 | CA2 (0.46) | CA2TSHRTYRMEN1CYP3A4 | |
| SCHEMBL157232 | 0.84 | MAPT (0.44) | CA2TSHRTYRMEN1CYP3A4 | |
| SCHEMBL156572 | 0.84 | MAPT (0.44) | CA2TSHRTYRMEN1CYP3A4 | |
| SCHEMBL156404 | 0.84 | MAPT (0.44) | CA2TSHRTYRMEN1CYP3A4 | |
| SCHEMBL6991911 | 0.83 | KDM4E (0.41) | CA2TSHRMEN1CYP3A4MAPT | |
| SCHEMBL29094163 | 0.82 | CA2 (0.45) | CA2TSHRTYRMEN1CYP3A4 | |
| SCHEMBL155283 | 0.81 | RAPGEF4 (0.43) | CA2TSHRTYRMEN1CYP3A4 | |
| SCHEMBL11675591 | 0.79 | CA2 (0.44) | CA2TSHRTYRMEN1CYP3A4 |
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-112312901-B | RAS (cancer associated protein) inhibitor and preparation method and application method thereof | 路易斯维尔大学研究基金会有限公司 | 2024-05-14 | — | — | CN | disclosed |
| CN-112312901-A | RAS oncoprotein inhibitors and methods of making and using the same | 路易斯维尔大学研究基金会有限公司 | 2021-02-02 | — | — | CN | disclosed |