Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL9208353 | 0.78 | HRH3 (0.42) | HRH3TDP1L3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL27630471 | 0.78 | OPRD1 (0.52) | MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9739345 | 0.77 | HRH3 (0.40) | HRH3TDP1L3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL9216605 | 0.76 | HRH3 (0.37) | HRH3TDP1L3MBTL1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9739030 | 0.74 | HRH3 (0.38) | HRH3TDP1L3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL9215931 | 0.73 | HRH3 (0.38) | HRH3TDP1L3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL5888846 | 0.73 | — | — | |
| SCHEMBL8542041 | 0.73 | CYP19A1 (0.45) | CYP1A2CYP3A4 | |
| SCHEMBL9820990 | 0.73 | SIGMAR1 (0.47) | — | |
| SCHEMBL9205342 | 0.73 | KDM4E (0.38) | HRH3TDP1L3MBTL1CYP1A2CYP3A4 |
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 |