Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL1843552 | 0.90 | TSHR (0.39) | TSHRL3MBTL1KDM4EOPRM1SLC6A2 | |
| SCHEMBL1842727 | 0.90 | TSHR (0.39) | TSHRL3MBTL1KDM4EOPRM1SLC6A2 | |
| SCHEMBL3653824 | 0.84 | CCR1 (0.37) | MEN1KMT2ATP53POLBALDH1A1 | |
| SCHEMBL4041182 | 0.81 | BCHE (0.42) | TSHRKDM4EMEN1KMT2ATP53 | |
| SCHEMBL4040480 | 0.81 | NR1H4 (0.44) | POLBALDH1A1MAPTALOX15 | |
| SCHEMBL4042732 | 0.81 | NR1H4 (0.44) | TSHRMEN1KMT2APOLBALDH1A1 | |
| SCHEMBL4044540 | 0.81 | NR1H4 (0.44) | POLBALDH1A1MAPTALOX15 | |
| SCHEMBL4039101 | 0.81 | NR1H4 (0.44) | TSHRMEN1KMT2APOLBALDH1A1 | |
| SCHEMBL1838873 | 0.79 | SLC6A3 (0.42) | MEN1KMT2ASLC6A2SLC6A3SLC6A4 | |
| SCHEMBL4040798 | 0.79 | EPHX1 (0.47) | L3MBTL1KMT2AALDH1A1 |
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 |