Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 6/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5764626 | 0.80 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2D6TSHRNFKB1 | |
| SCHEMBL3065028 | 0.76 | RPS6KA5 (0.41) | MEN1KMT2ACYP2A6KDM4EALDH1A1 | |
| SCHEMBL5896348 | 0.72 | KCNH2 (0.37) | CYP1A2CYP3A4CYP2D6TSHRNFKB1 | |
| SCHEMBL5763847 | 0.71 | NPSR1 (0.52) | CYP1A2CYP3A4CYP2D6TSHRNFKB1 | |
| SCHEMBL11294840 | 0.70 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2D6TSHRNFKB1 | |
| SCHEMBL7103966 | 0.70 | AGTR2 (0.38) | CYP1A2CYP3A4CYP2D6TSHRNFKB1 | |
| SCHEMBL3068576 | 0.68 | TP53 (0.38) | MEN1KMT2AKDM4EALDH1A1PKM | |
| SCHEMBL464450 | 0.66 | — | — | |
| SCHEMBL196235 | 0.66 | CYP2A6 (0.61) | TSHRMEN1KMT2ACYP2A6TDP1 | |
| SCHEMBL31252534 | 0.66 | CYP2A6 (0.61) | TSHRMEN1KMT2ACYP2A6TDP1 |
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-1368342-B3 | BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | NEUROGEN CORP (US) | 2010-12-01 | — | — | EP | disclosed |
| CN-1553909-A | Benzimidazole and pyridylimidazole derivatives as ligands for GABA receptors | — | 2004-12-08 | — | — | CN | disclosed |