Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL3652700 | 0.90 | NR1H4 (0.43) | NR1H4KCNH2TSHRNPC1RAB9A | |
| SCHEMBL3806736 | 0.88 | NR1H4 (0.51) | NR1H4KCNH2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3800573 | 0.88 | NR1H4 (0.48) | NR1H4KCNH2 | |
| SCHEMBL4034659 | 0.84 | NPC1 (0.43) | TSHRNPC1RAB9ASMN1; SMN2EPHX2 | |
| SCHEMBL3803820 | 0.83 | NR1H4 (0.54) | NR1H4KCNH2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4042532 | 0.82 | NPC1 (0.42) | TSHRNPC1RAB9ASMN1; SMN2EPHX2 | |
| SCHEMBL4039833 | 0.82 | NPC1 (0.42) | TSHRNPC1RAB9ASMN1; SMN2EPHX2 | |
| SCHEMBL3801443 | 0.81 | NR1H4 (0.56) | NR1H4KCNH2TSHRALDH1A1MEN1 | |
| SCHEMBL3650056 | 0.81 | ALDH1A1 (0.48) | NR1H4NPC1RAB9ASMN1; SMN2EPHX2 | |
| SCHEMBL3657965 | 0.80 | NR1H4 (0.47) | NR1H4KCNH2MEN1KMT2ACYP3A4 |
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 |