Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | C3AR1 | Q16581 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2912425 | 0.93 | TSHR (0.40) | TSHRGAANPSR1SMN1; SMN2C3AR1 | |
| SCHEMBL2915021 | 0.90 | KCNH2 (0.44) | TSHRSMN1; SMN2NPC1RAB9ACYP3A4 | |
| SCHEMBL2907592 | 0.89 | NPC1 (0.42) | TSHRSMN1; SMN2KMT2ANPC1RAB9A | |
| SCHEMBL2909615 | 0.88 | C3AR1 (0.43) | TSHRSMN1; SMN2C3AR1CYP3A4CYP2C19 | |
| SCHEMBL2910028 | 0.86 | SMN1; SMN2 (0.45) | TSHRGAANPSR1SMN1; SMN2C3AR1 | |
| SCHEMBL2915028 | 0.85 | KMT2A (0.43) | GAASMN1; SMN2C3AR1KMT2ANPC1 | |
| SCHEMBL2306977 | 0.84 | NR1H4 (0.43) | SMN1; SMN2C3AR1KMT2ANPC1RAB9A | |
| SCHEMBL2906901 | 0.82 | CNR1 (0.40) | TSHRSMN1; SMN2KMT2ANPC1RAB9A | |
| SCHEMBL2912405 | 0.81 | ALDH1A1 (0.40) | TSHRSMN1; SMN2NPC1RAB9ACYP3A4 | |
| SCHEMBL2915018 | 0.81 | SMN1; SMN2 (0.41) | TSHRGAANPSR1SMN1; SMN2C3AR1 |
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 4 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 |
| EP-2222645-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. Hoffmann-La Roche AG (CH) | 2010-09-01 | — | — | EP | disclosed |
| WO-2009062874-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-05-22 | — | — | WO | disclosed |