Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11226020 | 0.90 | KMT2A (0.36) | TSHRBRD4CYP1A2MEN1MAPT | |
| SCHEMBL22199028 | 0.82 | SLC6A4 (0.39) | LTA4HTSHRBRD4ADORA1CYP1A2 | |
| SCHEMBL8335880 | 0.81 | FABP3 (0.43) | TSHRMEN1MAPTHPGDMAPK1 | |
| SCHEMBL8736795 | 0.80 | LTA4H (0.46) | LTA4HTSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL22184952 | 0.80 | HTR2A (0.36) | LTA4HTSHRADORA1CYP1A2CYP2C9 | |
| SCHEMBL11749957 | 0.79 | ALDH1A1 (0.45) | LTA4HTSHRBRD4CYP1A2CYP2C9 | |
| SCHEMBL17628549 | 0.79 | LTA4H (0.44) | LTA4HTSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL22199037 | 0.78 | SMN1; SMN2 (0.46) | CYP1A2CYP2C9CYP2C19MEN1MAPT | |
| Phosphoric Acid SCHEMBL10790076 | 0.78 | CTNNB1 (0.39) | BRD4CYP1A2CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL27757744 | 0.77 | ALDH1A1 (0.52) | LTA4HTSHRMEN1MAPTMAPK1 |
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-2020141439-A1 | HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS | INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) | 2020-07-09 | — | — | WO | disclosed |