Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PTGIR | P43119 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9130951 | 1.00 | CYP3A4 (0.43) | CYP3A4TSHRL3MBTL1MAPK1ATM | |
| SCHEMBL18758907 | 0.80 | ATM (0.45) | CYP3A4L3MBTL1MAPK1ATMCYP2C19 | |
| SCHEMBL9133064 | 0.79 | TSHR (0.45) | TSHRHTTPOLBGRIN2BALDH1A1 | |
| SCHEMBL9133065 | 0.79 | TSHR (0.45) | TSHRHTTPOLBGRIN2BALDH1A1 | |
| SCHEMBL9134226 | 0.78 | NR1I2 (0.52) | TSHRMAPK1CYP2C19CES2CES1 | |
| SCHEMBL9134225 | 0.78 | NR1I2 (0.52) | TSHRMAPK1CYP2C19CES2CES1 | |
| SCHEMBL10993469 | 0.77 | SLC2A1 (0.43) | CYP3A4TSHRMAPK1CYP2C19HTT | |
| SCHEMBL9133593 | 0.76 | CYP2A6 (0.44) | L3MBTL1GSK3BLMNAALDH1A1MAPT | |
| SCHEMBL9133597 | 0.76 | CYP2A6 (0.44) | L3MBTL1GSK3BLMNAALDH1A1MAPT | |
| Iodide SCHEMBL18281281 | 0.75 | CYP3A4 (0.39) | CYP3A4TSHRL3MBTL1MAPK1ATM |
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 |
|---|---|---|---|---|---|---|---|
| US-5378702-A | Thiadizinones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-01-03 | — | — | US | disclosed |