Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 4/20 | 0.33 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL9210290 | 0.86 | KCNH2 (0.41) | KCNH2CYP3A4CYP2D6CYP2C19KDM4E | |
| SCHEMBL9206874 | 0.85 | BCHE (0.42) | KCNH2CYP3A4KDM4EACHEBCHE | |
| Hydrochloric Acid SCHEMBL9740423 | 0.85 | CYP3A4 (0.42) | KCNH2CYP3A4KDM4EACHEBCHE | |
| SCHEMBL9216817 | 0.81 | BCHE (0.38) | KCNH2CYP3A4CYP2D6CYP2C19KDM4E | |
| SCHEMBL9204663 | 0.80 | ACHE (0.52) | ACHEBCHEMEN1KMT2AHTR1A | |
| SCHEMBL9216033 | 0.80 | ATM (0.39) | KDM4EPOLBDRD2ALDH1A1ALOX15 | |
| SCHEMBL9207136 | 0.79 | HTR2B (0.39) | ACHEBCHEHTR1ADRD2LMNA | |
| SCHEMBL9205651 | 0.77 | HTR1A (0.38) | ACHEHTR1ADRD2HTR2ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9740530 | 0.77 | CYP3A4 (0.47) | KCNH2CYP3A4KDM4EACHEBCHE | |
| SCHEMBL9212638 | 0.76 | ACHE (0.53) | ACHEBCHE |
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 |