Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1842727 | 1.00 | TSHR (0.39) | TSHROPRM1L3MBTL1TP53ALDH1A1 | |
| SCHEMBL1839013 | 0.90 | TSHR (0.45) | TSHROPRM1L3MBTL1TP53ALDH1A1 | |
| SCHEMBL1838873 | 0.89 | SLC6A3 (0.42) | TP53CYP3A4CYP2D6CYP2C9KCNH2 | |
| SCHEMBL1838714 | 0.85 | TP53 (0.38) | TP53CYP3A4CYP2D6CYP2C9KCNH2 | |
| SCHEMBL3659618 | 0.85 | GAA (0.50) | TSHRTP53ALDH1A1POLBCASP3 | |
| SCHEMBL3659255 | 0.84 | NR1H4 (0.39) | TSHRL3MBTL1TP53ALDH1A1CYP3A4 | |
| SCHEMBL1838067 | 0.84 | MAPT (0.40) | TP53POLBCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1840250 | 0.84 | TP53 (0.36) | TP53POLBCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3653916 | 0.84 | NR1H4 (0.45) | TSHRTP53CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3656516 | 0.83 | NR1H4 (0.46) | TSHRTP53CYP3A4CYP2D6CYP2C9 |
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-2321282-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010028981-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-18 | — | — | WO | disclosed |