Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GNRHR | P30968 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9206993 | 0.86 | KCNH2 (0.38) | KCNH2CYP2D6CYP3A4CYP2C19KDM4E | |
| SCHEMBL9207618 | 0.85 | ACHE (0.47) | BCHEACHE | |
| SCHEMBL9217614 | 0.80 | ACHE (0.50) | KCNH2CYP2D6CYP3A4CYP2C19KDM4E | |
| SCHEMBL9204444 | 0.79 | KDM4E (0.43) | KCNH2CYP2D6CYP3A4CYP2C19KDM4E | |
| SCHEMBL9209361 | 0.79 | KCNH2 (0.46) | KCNH2CYP2D6CYP3A4CYP2C19KDM4E | |
| SCHEMBL9216817 | 0.78 | BCHE (0.38) | KCNH2CYP2D6CYP3A4CYP2C19KDM4E | |
| SCHEMBL9204663 | 0.76 | ACHE (0.52) | BCHEACHEMEN1KMT2A | |
| SCHEMBL9211917 | 0.75 | HTR1A (0.46) | ACHEMEN1KMT2ASIGMAR1 | |
| SCHEMBL9210283 | 0.75 | SIGMAR1 (0.42) | SIGMAR1HRH1HRH3 | |
| SCHEMBL9214063 | 0.74 | BCHE (0.44) | KDM4EBCHEACHELMNASMN1; SMN2 |
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 2 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 |