Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PCTP | Q9UKL6 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3654265 | 0.93 | NR1H4 (0.43) | NR1H4CYP2D6CYP3A4CYP2C9MCHR1 | |
| SCHEMBL3657604 | 0.86 | NR1H4 (0.56) | NR1H4CYP2D6CYP3A4CYP2C9SMN1; SMN2 | |
| SCHEMBL3658410 | 0.84 | NR1H4 (0.47) | NR1H4CYP2D6CYP3A4CYP2C9SMN1; SMN2 | |
| SCHEMBL3652400 | 0.83 | NR1H4 (0.40) | NR1H4CYP2D6CYP3A4CYP2C9RAB9A | |
| SCHEMBL3657982 | 0.82 | NR1H4 (0.41) | NR1H4CYP2D6CYP3A4CYP2C9MCHR1 | |
| SCHEMBL3652291 | 0.79 | NR1H4 (0.57) | NR1H4CYP2D6CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL3654264 | 0.77 | EPHX1 (0.43) | NR1H4CYP2D6CYP3A4CYP2C9MCHR1 | |
| SCHEMBL3657962 | 0.77 | NR1H4 (0.49) | NR1H4CYP2D6CYP3A4CYP2C9RAB9A | |
| SCHEMBL3656669 | 0.77 | NR1H4 (0.48) | NR1H4CYP2D6CYP3A4CYP2C9SMN1; SMN2 | |
| SCHEMBL4034837 | 0.76 | NPC1 (0.48) | NR1H4SMN1; SMN2ALDH1A1RAB9AKDM4E |
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 |