Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 10/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.41 |
| ▸ | GSK3B | P49841 | 3/20 | 0.41 |
| ▸ | PAK4 | O96013 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.39 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.39 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CLK1 | P49759 | 2/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.37 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.37 |
| ▸ | CLK2 | P49760 | 1/20 | 0.37 |
| ▸ | CLK3 | P49761 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13604924 | 1.00 | CYP2D6 (0.43) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 | |
| SCHEMBL3697234 | 1.00 | CYP2D6 (0.43) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 | |
| Acetic Acid SCHEMBL3699204 | 0.94 | CYP2D6 (0.41) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 | |
| Acetic Acid SCHEMBL3699206 | 0.94 | CYP2D6 (0.41) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 | |
| Acetic Acid SCHEMBL3699092 | 0.94 | CYP2D6 (0.41) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 | |
| SCHEMBL4481698 | 0.88 | MAPK1 (0.46) | ROCK2GSK3BPAK4PIM1AURKB | |
| SCHEMBL4481696 | 0.88 | MAPK1 (0.46) | ROCK2GSK3BPAK4PIM1AURKB | |
| SCHEMBL13604950 | 0.88 | MAPK1 (0.46) | ROCK2GSK3BPAK4PIM1AURKB | |
| SCHEMBL6730155 | 0.84 | CYP2D6 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 | |
| SCHEMBL3692987 | 0.84 | CYP2D6 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1851199-B1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMA INC (US) | 2012-05-16 | — | — | EP | disclosed |
| US-7625889-B2 | Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists | AVENTIS PHARMACEUTICALS INC. (US) | 2009-12-01 | — | — | US | disclosed |
| US-7625889-B2 | Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists | AVENTIS PHARMACEUTICALS INC. (US) | 2009-12-01 | — | — | US | disclosed |
| US-20070265309-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2007-11-15 | — | — | US | disclosed |
| US-20070265309-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2007-11-15 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070265309-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | HTR2A, HTR2B, HTR2C | CYP2D6 118/4885SLC6A2 67/4885SLC6A4 50/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.