Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | C3AR1 | Q16581 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4044888 | 0.92 | KMT2A (0.45) | KMT2ANPC1RAB9AMEN1HTT | |
| SCHEMBL4036629 | 0.89 | NPC1 (0.49) | KMT2ANPC1RAB9AMEN1HTT | |
| SCHEMBL4041108 | 0.89 | NPC1 (0.46) | KMT2ANPC1RAB9AMEN1HTT | |
| SCHEMBL4039445 | 0.88 | CNR1 (0.42) | KMT2ANPC1RAB9AMEN1SMN1; SMN2 | |
| SCHEMBL4044499 | 0.88 | CNR1 (0.42) | KMT2ANPC1RAB9AMEN1SMN1; SMN2 | |
| SCHEMBL4044511 | 0.87 | EPHX2 (0.47) | KMT2ANPC1RAB9AMEN1HTT | |
| SCHEMBL4036690 | 0.86 | TSHR (0.43) | KMT2ANPC1RAB9AMEN1HTT | |
| SCHEMBL4044809 | 0.85 | NPC1 (0.46) | KMT2ANPC1RAB9AMEN1HTT | |
| SCHEMBL4044962 | 0.85 | KMT2A (0.49) | KMT2AMEN1HTTSMN1; SMN2MAPT | |
| SCHEMBL4041113 | 0.85 | NPC1 (0.40) | KMT2ANPC1RAB9AMEN1HTT |
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-2038259-A1 | BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME | F.HOFFMANN-LA ROCHE AG (CH) | 2009-03-25 | — | — | EP | disclosed |
| WO-2008000643-A1 | BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-03 | — | — | WO | disclosed |