Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | EP300 | Q09472 | 1/20 | 0.47 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.47 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | APP | P05067 | 7/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | FABP4 | P15090 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2443752 | 0.84 | GAA (0.46) | CYP3A4MAPK1EP300KAT2BKAT8 | |
| SCHEMBL15934243 | 0.79 | TSHR (0.50) | CYP3A4MAPK1EP300KAT2BKAT8 | |
| SCHEMBL28153042 | 0.76 | HPGD (0.48) | CYP3A4MAPK1EP300KAT2BKAT8 | |
| SCHEMBL68064 | 0.76 | CYP3A4 (0.75) | CYP3A4MAPK1KMT2AESR1TSHR | |
| SCHEMBL31392414 | 0.76 | CYP3A4 (0.75) | CYP3A4MAPK1KMT2AESR1TSHR | |
| SCHEMBL7743436 | 0.76 | CYP3A4 (0.75) | CYP3A4MAPK1KMT2AESR1TSHR | |
| SCHEMBL8927868 | 0.75 | CYP3A4 (0.40) | CYP3A4MAPK1EP300KAT2BKAT8 | |
| SCHEMBL3222106 | 0.70 | HSD17B10 (0.50) | CYP3A4MAPK1EP300KAT2BKAT8 | |
| SCHEMBL3786708 | 0.69 | GAA (0.52) | CYP3A4MAPK1GAAKMT2ATSHR | |
| SCHEMBL11036013 | 0.69 | CYP3A4 (0.57) | CYP3A4MAPK1GAAESR1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2088861-A2 | BENZIMIDAZOLE COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2009-08-19 | — | — | EP | disclosed |
| WO-2008051533-A2 | BENZIMIDAZOLE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-02 | — | — | WO | disclosed |