Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15914665 | 0.91 | TSHR (0.50) | TSHRPOLBGLAGAAALDH1A1 | |
| SCHEMBL12816383 | 0.80 | TSHR (0.45) | TSHRPOLBGLAGAAALDH1A1 | |
| SCHEMBL24118132 | 0.80 | TSHR (0.45) | TSHRPOLBGLAGAAALDH1A1 | |
| SCHEMBL22380067 | 0.78 | ALDH1A1 (0.35) | TSHRPOLBGLAGAAALDH1A1 | |
| SCHEMBL25094381 | 0.78 | TSHR (0.43) | TSHRPOLBGLAGAAALDH1A1 | |
| SCHEMBL622820 | 0.77 | KDM4E (0.42) | TSHRPOLBGAAALDH1A1CA2 | |
| SCHEMBL15871381 | 0.77 | GAA (0.42) | TSHRPOLBGLAGAAALDH1A1 | |
| SCHEMBL30688815 | 0.77 | GAA (0.42) | TSHRPOLBGLAGAAALDH1A1 | |
| SCHEMBL25165270 | 0.75 | POLB (0.36) | TSHRPOLBGLAGAAALDH1A1 | |
| SCHEMBL21479489 | 0.75 | POLB (0.41) | TSHRPOLBGLAGAAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023125737-A1 | HETEROCYCLIC COMPOUNDS AND USE THEREOF | SILEXON AI TECHNOLOGY CO., LTD. (CN) | 2023-07-06 | — | — | WO | disclosed |
| WO-2023116763-A1 | PYRIDAZINE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | 上海优理惠生医药有限公司 | 2023-06-29 | — | — | WO | disclosed |