Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9208353 | 0.84 | HRH3 (0.42) | HRH3CHRNB1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL9205342 | 0.84 | KDM4E (0.38) | HRH3ACHECHRNB1CHRNB2CHRNB4 | |
| Hydrochloric Acid SCHEMBL9739345 | 0.81 | HRH3 (0.40) | HRH3CHRNB1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL9217265 | 0.80 | DRD4 (0.43) | HRH3 | |
| SCHEMBL9214421 | 0.78 | HRH3 (0.40) | HRH3 | |
| SCHEMBL9212354 | 0.78 | HRH3 (0.35) | HRH3ACHECHRNB1CHRNB2CHRNB4 | |
| Hydrochloric Acid SCHEMBL9208307 | 0.77 | HRH3 (0.39) | HRH3 | |
| Hydrochloric Acid SCHEMBL9741088 | 0.77 | HRH3 (0.34) | HRH3ACHECHRNB1CHRNB2CHRNB4 | |
| SCHEMBL9206331 | 0.76 | HSD11B1 (0.38) | ACHE | |
| SCHEMBL9624248 | 0.76 | HDAC6 (0.35) | KDM4EALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0292840-B1 | Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation | THOMAE GMBH DR K (DE) | 1995-08-09 | — | — | EP | disclosed |
| US-5175157-A | Cardiovascular disorders | BOEHRINGER INGELHEIM GMBH (DE) | 1992-12-29 | — | — | US | disclosed |
| EP-0292840-A2 | Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-11-30 | — | — | EP | disclosed |