Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KLK7 | P49862 | 3/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3649599 | 0.91 | NR1H4 (0.55) | NR1H4CYP2C9CYP3A4CYP2D6TP53 | |
| SCHEMBL3653916 | 0.88 | NR1H4 (0.45) | NR1H4CYP2C9CYP3A4CYP2D6TP53 | |
| SCHEMBL3652179 | 0.88 | NR1H4 (0.53) | NR1H4CYP2C9CYP3A4CYP2D6TP53 | |
| SCHEMBL3654264 | 0.84 | EPHX1 (0.43) | NR1H4CYP2C9CYP3A4CYP2D6TP53 | |
| SCHEMBL3656516 | 0.83 | NR1H4 (0.46) | NR1H4CYP2C9CYP3A4CYP2D6TP53 | |
| SCHEMBL3651277 | 0.82 | NR1H4 (0.57) | NR1H4CYP2C9CYP3A4CYP2D6MAPT | |
| SCHEMBL3659618 | 0.82 | GAA (0.50) | NR1H4CYP2C9CYP3A4CYP2D6TP53 | |
| SCHEMBL1838714 | 0.81 | TP53 (0.38) | NR1H4CYP2C9CYP3A4CYP2D6TP53 | |
| SCHEMBL3656693 | 0.80 | NR1H4 (0.52) | NR1H4CYP2C9CYP3A4CYP2D6TP53 | |
| SCHEMBL4040844 | 0.80 | NR1H4 (0.47) | NR1H4CYP2C9CYP3A4CYP2D6TP53 |
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-2225221-A2 | CARBOXYL- OR HYDROXYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2010-09-08 | — | — | EP | claimed |
| WO-2009080555-A2 | CARBOXYL- OR HYDROXYL- SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-07-02 | — | — | WO | claimed |
| EP-2225221-A2 | CARBOXYL- OR HYDROXYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2010-09-08 | — | — | EP | disclosed |
| WO-2009080555-A2 | CARBOXYL- OR HYDROXYL- SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-07-02 | — | — | WO | disclosed |