Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | MERTK | Q12866 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL2913040 | 0.85 | TSHR (0.44) | KMT2AMEN1ALDH1A1GAASMN1; SMN2 | |
| SCHEMBL4040310 | 0.82 | EGFR (0.41) | KMT2AMEN1ALDH1A1SMN1; SMN2EGFR | |
| SCHEMBL2909615 | 0.82 | C3AR1 (0.43) | ALDH1A1SMN1; SMN2KDM4EC3AR1 | |
| SCHEMBL2915021 | 0.79 | KCNH2 (0.44) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL2907592 | 0.79 | NPC1 (0.42) | KMT2AMEN1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2912425 | 0.79 | TSHR (0.40) | KMT2AMEN1ALDH1A1GAASMN1; SMN2 | |
| SCHEMBL2906901 | 0.78 | CNR1 (0.40) | KMT2AMEN1ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL4041039 | 0.76 | CYP3A4 (0.41) | KMT2AMEN1SMN1; SMN2EGFRERBB2 | |
| SCHEMBL2910028 | 0.76 | SMN1; SMN2 (0.45) | KMT2AMEN1ALDH1A1GAASMN1; SMN2 | |
| SCHEMBL2912649 | 0.74 | KMT2A (0.39) | KMT2AMEN1ALDH1A1SMN1; SMN2NPC1 |
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-2222645-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. Hoffmann-La Roche AG (CH) | 2010-09-01 | — | — | EP | claimed |
| WO-2009062874-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-05-22 | — | — | WO | claimed |