Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CFTR | P13569 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6280137 | 0.87 | SLC6A3 (0.56) | SLC6A3TSHRLMNAL3MBTL1HSD17B10 | |
| SCHEMBL4326100 | 0.87 | SLC6A3 (0.56) | SLC6A3TSHRLMNAL3MBTL1HSD17B10 | |
| SCHEMBL4036585 | 0.85 | IRAK4 (0.66) | SLC6A3TSHRLMNAL3MBTL1HSD17B10 | |
| SCHEMBL1856862 | 0.84 | SLC6A3 (0.56) | SLC6A3TSHRLMNAL3MBTL1HSD17B10 | |
| SCHEMBL3791612 | 0.81 | SLC6A3 (0.53) | SLC6A3TSHRLMNAL3MBTL1HSD17B10 | |
| Methyl 2-Methoxybenzoate SCHEMBL29702077 | 0.80 | TSHR (0.69) | SLC6A3TSHRLMNAL3MBTL1HSD17B10 | |
| SCHEMBL2441955 | 0.80 | SLC6A3 (0.65) | SLC6A3TSHRLMNAL3MBTL1HSD17B10 | |
| Methyl 2-Methoxybenzoate SCHEMBL196037 | 0.80 | TSHR (0.69) | SLC6A3TSHRLMNAL3MBTL1HSD17B10 | |
| SCHEMBL9774322 | 0.80 | SLC6A3 (0.55) | SLC6A3TSHRLMNAL3MBTL1HSD17B10 | |
| SCHEMBL4393207 | 0.79 | HSD17B10 (0.73) | SLC6A3TSHRLMNAL3MBTL1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021028806-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | NOVARTIS AG (CH) | 2021-02-18 | — | — | WO | disclosed |