Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | AGXT | P21549 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | CCND1 | P24385 | 1/20 | 0.40 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TK1 | P04183 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL76044 | 0.83 | TSHR (0.61) | TSHRIDO1AGXTALOX5CCNB2 | |
| SCHEMBL30425720 | 0.83 | TSHR (0.61) | TSHRIDO1AGXTALOX5CCNB2 | |
| SCHEMBL2866334 | 0.82 | TSHR (0.54) | TSHRIDO1AGXTCCNB2CDK1 | |
| SCHEMBL2532264 | 0.82 | TSHR (0.54) | TSHRIDO1AGXTCCNB2CDK1 | |
| SCHEMBL22160794 | 0.81 | TSHR (0.58) | TSHRIDO1AGXTALOX5CCNB2 | |
| SCHEMBL5755068 | 0.79 | TSHR (0.56) | TSHRIDO1AGXTALOX5CCNB2 | |
| SCHEMBL1524101 | 0.78 | TSHR (0.67) | TSHRIDO1AGXTALOX5MAOB | |
| SCHEMBL6941005 | 0.78 | TSHR (0.67) | TSHRIDO1AGXTALOX5CA1 | |
| SCHEMBL1524098 | 0.78 | TSHR (0.67) | TSHRIDO1AGXTALOX5MAOB | |
| SCHEMBL4574153 | 0.78 | TSHR (0.67) | TSHRIDO1AGXTALOX5CA1 |
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-118103370-A | Fused tetracyclic quinazoline derivatives as ERBB2 inhibitors | 英莱汶公司 | 2024-05-28 | — | — | CN | disclosed |