Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | EDNRA | P25101 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9216372 | 0.94 | MEN1 (0.42) | MEN1KMT2ACYP2D6ALDH1A1HRH3 | |
| SCHEMBL9739252 | 0.81 | KMT2A (0.42) | MEN1KMT2AALDH1A1POLB | |
| SCHEMBL9207731 | 0.78 | SIGMAR1 (0.43) | HRH3DRD4HTR1AHTR1DHTR1B | |
| Hydrochloric Acid SCHEMBL9740876 | 0.77 | HRH3 (0.47) | MEN1KMT2ACYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL9740162 | 0.77 | HRH3 (0.49) | MEN1KMT2ACYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL9740252 | 0.75 | KMT2A (0.38) | MEN1KMT2AALDH1A1POLBDRD4 | |
| SCHEMBL9205099 | 0.75 | HRH3 (0.48) | KMT2AALDH1A1HRH3CHRNB2CHRNB4 | |
| SCHEMBL9740634 | 0.74 | HRH3 (0.41) | MEN1KMT2ACYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL9738928 | 0.74 | ABCB1 (0.42) | MEN1KMT2ACYP2D6ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL9741913 | 0.74 | HRH3 (0.39) | MEN1KMT2ACYP2D6ALDH1A1CYP1A2 |
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 |