Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.58 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.54 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | AR | P10275 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9656155 | 1.00 | ABCG2 (0.58) | ABCG2ABCB1MAOBARCYP3A4 | |
| SCHEMBL10390906 | 0.80 | MAPT (0.53) | ABCG2MAOBCYP3A4GPR52MAPT | |
| SCHEMBL10390907 | 0.80 | MAPT (0.53) | ABCG2MAOBCYP3A4GPR52MAPT | |
| SCHEMBL29756455 | 0.77 | ABCG2 (0.62) | ABCG2ABCB1MAOBARCYP3A4 | |
| SCHEMBL28804080 | 0.77 | ABCG2 (0.62) | ABCG2ABCB1MAOBARCYP3A4 | |
| Fumaric Acid SCHEMBL9655909 | 0.76 | ALDH1A1 (0.52) | ABCG2MAOBCYP3A4GPR52MAPT | |
| Maleic Acid SCHEMBL9655896 | 0.76 | ALDH1A1 (0.52) | ABCG2MAOBCYP3A4GPR52MAPT | |
| SCHEMBL7501717 | 0.75 | ABCG2 (0.59) | ABCG2ABCB1MAOBARCYP3A4 | |
| SCHEMBL7501712 | 0.75 | ABCG2 (0.59) | ABCG2ABCB1MAOBARCYP3A4 | |
| SCHEMBL31167606 | 0.75 | ABCG2 (0.77) | ABCG2ABCB1MAOBARCYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5084474-A | Antagonist of 5-hydroxytryptamine receptors on nerves and useful for treatment of psychotic disorders, anxiety, and nausea and vomiting, compounds of imidazole | GLAXO GROUP LIMITED (GB) | 1992-01-28 | — | — | US | disclosed |
| US-5019586-A | 5-Hydroxytryptamine Receptor Antagonists | GLAXO GROUP LIMITED | 1991-05-28 | — | — | US | disclosed |
| US-4918080-A | ANXIOLYTIC AGENTS, ANTIEMETICS | GLAXO GROUP LIMITED (GB) | 1990-04-17 | — | — | US | disclosed |
| EP-0291172-A1 | Ketone derivatives | GLAXO GROUP LIMITED (GB) | 1988-11-17 | — | — | EP | disclosed |