Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 3/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ADH1B | P00325 | 1/20 | 0.35 |
| ▸ | ADH1C | P00326 | 1/20 | 0.35 |
| ▸ | ADH1A | P07327 | 1/20 | 0.35 |
| ▸ | ADH4 | P08319 | 1/20 | 0.35 |
| ▸ | ADH7 | P40394 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4660951 | 1.00 | CYP1A2 (0.54) | CYP1A2SIGMAR1EPHX1BCHECHRM2 | |
| SCHEMBL7467108 | 0.98 | CYP1A2 (0.50) | CYP1A2SIGMAR1EPHX1BCHECHRM2 | |
| SCHEMBL24127642 | 0.93 | CYP1A2 (0.44) | CYP1A2SIGMAR1EPHX1BCHECHRM2 | |
| SCHEMBL5383682 | 0.88 | — | — | |
| SCHEMBL716430 | 0.88 | SIGMAR1 (0.48) | CYP1A2SIGMAR1EPHX1BCHECHRM2 | |
| SCHEMBL12288486 | 0.87 | CYP1A2 (0.61) | CYP1A2SIGMAR1EPHX1BCHEALDH1A1 | |
| SCHEMBL629782 | 0.87 | CYP1A2 (0.61) | CYP1A2SIGMAR1EPHX1BCHEALDH1A1 | |
| SCHEMBL8258527 | 0.87 | CYP1A2 (0.61) | CYP1A2SIGMAR1EPHX1BCHEALDH1A1 | |
| SCHEMBL8391404 | 0.87 | CYP1A2 (0.61) | CYP1A2SIGMAR1EPHX1BCHEALDH1A1 | |
| Hydrochloric Acid SCHEMBL5384906 | 0.86 | SAT1 (0.40) | CYP1A2SIGMAR1ALDH1A1MAPT |
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-3495363-B1 | NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT | SHIONOGI & CO (JP) | 2023-08-23 | — | — | EP | disclosed |
| US-5541229-A | ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS | DR. KARL THOMAE GMBH (DE) | 1996-07-30 | — | — | US | disclosed |