Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9191996 | 1.00 | TSHR (0.50) | TSHRSLC1A1KMT2AMEN1LMNA | |
| SCHEMBL6988170 | 0.86 | L3MBTL1 (0.50) | TSHRKMT2ALMNAALDH1A1KDM4E | |
| SCHEMBL6825006 | 0.86 | L3MBTL1 (0.46) | TSHRSLC1A1KMT2AMEN1LMNA | |
| SCHEMBL9523585 | 0.79 | LMNA (0.39) | TSHRLMNAALDH1A1MAPTCA1 | |
| SCHEMBL9523587 | 0.79 | TSHR (0.46) | TSHRSLC1A1KMT2AMEN1LMNA | |
| SCHEMBL9405314 | 0.77 | — | — | |
| SCHEMBL6983467 | 0.77 | — | — | |
| SCHEMBL16388417 | 0.77 | TSHR (0.55) | TSHRSLC1A1KMT2AMEN1LMNA | |
| SCHEMBL2166892 | 0.77 | — | — | |
| SCHEMBL8686256 | 0.77 | TSHR (0.55) | TSHRSLC1A1KMT2AMEN1LMNA |
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-112939980-A | 3, 4-dichloroisothiazole heterocyclic purine derivatives and preparation method and application thereof | 南开大学 | 2021-06-11 | — | — | CN | claimed |
| CN-112939980-A | 3, 4-dichloroisothiazole heterocyclic purine derivatives and preparation method and application thereof | 南开大学 | 2021-06-11 | — | — | CN | disclosed |