Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2643742 | 0.90 | MAP4K4 (0.42) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL2643726 | 0.84 | ALK (0.42) | DHFRHDAC2HDAC3ALK | |
| SCHEMBL7834274 | 0.84 | AKR1B1 (0.36) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL8323635 | 0.80 | DHFR (0.40) | DHFRMAP4K4 | |
| SCHEMBL9071943 | 0.79 | HDAC2 (0.41) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL2643656 | 0.77 | HDAC2 (0.41) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL2643659 | 0.77 | HDAC2 (0.43) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL7820330 | 0.74 | MAPT (0.40) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL2643607 | 0.74 | HDAC2 (0.39) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL2643125 | 0.73 | SYK (0.37) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1164134-A1 | Benzimidazole compounds and their use as modulators of the GABA A receptor complex | NEUROSEARCH A/S (DK) | 2001-12-19 | — | — | EP | disclosed |
| EP-0821684-B1 | BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX | NEUROSEARCH AS (DK) | 2001-12-05 | — | — | EP | disclosed |
| US-5922724-A | Benzimidazole compounds and their use as modulators of the GABA a receptor complex | NEUROSEARCH A/S (DK) | 1999-07-13 | — | — | US | disclosed |