Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NPY2R | P49146 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | CASR | P41180 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2306822 | 0.90 | NR1H4 (0.41) | TSHRSMN1; SMN2GAAMAPTMEN1 | |
| SCHEMBL2307306 | 0.90 | NR1H4 (0.41) | TSHRSMN1; SMN2GAAMAPTMEN1 | |
| SCHEMBL2308785 | 0.84 | NR1H4 (0.40) | TSHRRAB9ANPC1SMN1; SMN2CYP3A4 | |
| SCHEMBL2306973 | 0.82 | NR1H4 (0.55) | TSHRSMN1; SMN2GAAKMT2ACYP3A4 | |
| SCHEMBL2307699 | 0.82 | NR1H4 (0.55) | TSHRSMN1; SMN2GAAKMT2ACYP3A4 | |
| SCHEMBL2304285 | 0.82 | NR1H4 (0.49) | RAB9ANPC1SMN1; SMN2GAAKMT2A | |
| SCHEMBL2305514 | 0.82 | NR1H4 (0.49) | RAB9ANPC1SMN1; SMN2GAAKMT2A | |
| SCHEMBL2910028 | 0.81 | SMN1; SMN2 (0.45) | TSHRRAB9ANPC1SMN1; SMN2GAA | |
| SCHEMBL2305479 | 0.81 | NR1H4 (0.45) | KDM4E | |
| SCHEMBL2308317 | 0.81 | NR1H4 (0.45) | KDM4E |
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-2350022-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010043513-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-04-22 | — | — | WO | disclosed |