Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL1843552 | 0.89 | TSHR (0.39) | SLC6A3SLC6A2SLC6A4MAPTLMNA | |
| SCHEMBL1842727 | 0.89 | TSHR (0.39) | SLC6A3SLC6A2SLC6A4MAPTLMNA | |
| SCHEMBL1838714 | 0.87 | TP53 (0.38) | MAPTLMNATP53MDM2NR1H4 | |
| SCHEMBL4040844 | 0.87 | NR1H4 (0.47) | MAPTLMNATP53NR1H4CYP3A4 | |
| SCHEMBL4035029 | 0.87 | NR1H4 (0.47) | MAPTLMNATP53NR1H4CYP3A4 | |
| SCHEMBL1838067 | 0.86 | MAPT (0.40) | MAPTLMNATP53NR1H4CYP3A4 | |
| SCHEMBL1840250 | 0.86 | TP53 (0.36) | MAPTLMNATP53MDM2NR1H4 | |
| SCHEMBL3658503 | 0.84 | NR1H4 (0.42) | MAPTLMNATP53NR1H4CYP3A4 | |
| SCHEMBL3649203 | 0.84 | NR1H4 (0.42) | MAPTLMNANR1H4CYP3A4CYP2D6 | |
| SCHEMBL3653174 | 0.83 | NR1H4 (0.50) | MAPTLMNATP53MDM2NR1H4 |
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 |