Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.39 |
| ▸ | FPR1 | P21462 | 3/20 | 0.38 |
| ▸ | FPR2 | P25090 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3652400 | 0.89 | NR1H4 (0.40) | LMNAMAPTTP53NR1H4CYP2C9 | |
| SCHEMBL3657982 | 0.88 | NR1H4 (0.41) | LMNAMAPTTP53MCHR1NR1H4 | |
| SCHEMBL3652179 | 0.87 | NR1H4 (0.53) | EPHX1LMNAMAPTTP53NR1H4 | |
| SCHEMBL3654265 | 0.85 | NR1H4 (0.43) | MCHR1NR1H4CYP2C9EPHX2CYP3A4 | |
| SCHEMBL3655058 | 0.84 | NR1H4 (0.54) | EPHX1LMNAMAPTTP53NR1H4 | |
| SCHEMBL3649599 | 0.83 | NR1H4 (0.55) | LMNAMAPTTP53MCHR1NR1H4 | |
| SCHEMBL3659618 | 0.81 | GAA (0.50) | MAPTTSHRHTTTP53NR1H4 | |
| SCHEMBL1843055 | 0.81 | MCHR1 (0.35) | EPHX1LMNAMAPTTSHRHTT | |
| SCHEMBL4040844 | 0.81 | NR1H4 (0.47) | EPHX1LMNAMAPTTP53NR1H4 | |
| SCHEMBL4035029 | 0.81 | NR1H4 (0.47) | EPHX1LMNAMAPTTP53NR1H4 |
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 |