Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3801443 | 0.90 | NR1H4 (0.56) | NR1H4ALDH1A1KCNH2TP53TSHR | |
| SCHEMBL3654638 | 0.88 | NR1H4 (0.46) | NR1H4KCNH2GABRG2GABRB3GABRA2 | |
| SCHEMBL3803763 | 0.83 | NR1H4 (0.51) | NR1H4KCNH2GABRG2GABRB3GABRA2 | |
| SCHEMBL3657230 | 0.82 | NR1H4 (0.41) | NR1H4TSHRGABRG2GABRB3GABRA2 | |
| SCHEMBL3657965 | 0.81 | NR1H4 (0.47) | NR1H4KCNH2TP53KMT2ACYP3A4 | |
| SCHEMBL1841564 | 0.80 | NR1H4 (0.40) | NR1H4ALDH1A1MAPTKMT2A | |
| SCHEMBL3657577 | 0.78 | NR1H4 (0.45) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3655181 | 0.77 | NR1H4 (0.47) | NR1H4KCNH2KMT2ACYP3A4CYP2D6 | |
| SCHEMBL3657964 | 0.77 | NR1H4 (0.44) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1843649 | 0.76 | NR1H4 (0.36) | NR1H4 |
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-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 |