Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | DHPS | P49366 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.37 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.35 |
| ▸ | KCNJ3 | P48549 | 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 | |
|---|---|---|---|---|
| SCHEMBL10644226 | 0.96 | CHRNA7 (0.40) | CHRNA7DHPSOPRM1OPRL1KDM4E | |
| SCHEMBL9625065 | 0.91 | CHRNB2 (0.43) | DHPSKDM4EALDH1A1 | |
| SCHEMBL9625087 | 0.90 | MAPT (0.43) | CHRNA7DHPSMAPTHCN4CYP3A4 | |
| SCHEMBL9624907 | 0.87 | MAPT (0.49) | CHRNA7MAPTHCN4SMPD1CYP3A4 | |
| SCHEMBL9623839 | 0.86 | ALDH1A1 (0.41) | CHRNA7MAPTALOX15OPRM1OPRL1 | |
| SCHEMBL9624387 | 0.86 | MAPT (0.39) | CHRNA7DHPSMAPTHCN4CYP3A4 | |
| SCHEMBL9624753 | 0.83 | MAPT (0.45) | MAPTHCN4CYP3A4ALOX15KDM4E | |
| SCHEMBL9624248 | 0.83 | HDAC6 (0.35) | MAPTHCN4SMPD1CYP3A4ALOX15 | |
| SCHEMBL9624625 | 0.82 | ALDH1A1 (0.41) | CHRNA7MAPTALOX15OPRM1OPRL1 | |
| Hydrochloric Acid SCHEMBL9624866 | 0.82 | CYP3A4 (0.46) | MAPTHCN4CYP3A4ALOX15KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5116986-A | HETEROAROMATIC AMINE DERIVATIVES | DR. KARL THOMAE GMBH (DE) | 1992-05-26 | — | — | US | disclosed |
| US-4912115-A | Cardiovascular disorders | DR. KARL THOMAE GMBH (DE) | 1990-03-27 | — | — | US | disclosed |
| EP-0269968-A2 | Heteroaromatic amine derivatives, medicaments containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-06-08 | — | — | EP | disclosed |