Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | CMA1 | P23946 | 1/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.34 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9739179 | 0.76 | PARP10 (0.41) | KDM4ECRBNPARP10PARP11PARP1 | |
| Noroxyhydrastinine SCHEMBL29745981 | 0.75 | KDM4E (1.00) | KDM4ECYP2D6ACHEPARP10PARP11 | |
| Noroxyhydrastinine SCHEMBL564339 | 0.75 | KDM4E (1.00) | KDM4ECYP2D6ACHEPARP10PARP11 | |
| SCHEMBL6848672 | 0.75 | GRIA1 (0.37) | KDM4ECRBNPARP10PARP11PARP1 | |
| SCHEMBL9216134 | 0.74 | KDM4E (0.53) | KDM4EALDH1A1CYP2D6HSD17B10MAPT | |
| SCHEMBL9739386 | 0.73 | CYP2C19 (0.43) | KDM4EALDH1A1CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL6614937 | 0.73 | KDM4E (0.44) | KDM4EALDH1A1CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL5568453 | 0.73 | KDM4E (0.58) | KDM4EALDH1A1CYP2D6HSD17B10MAPT | |
| Hydrochloric Acid SCHEMBL6954419 | 0.72 | KDM4E (0.52) | KDM4EALDH1A1CYP2D6HSD17B10MAPT | |
| SCHEMBL6582757 | 0.72 | KDM4E (0.46) | KDM4EALDH1A1CYP1A2CYP2D6HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-4065473-A | Intermediates in the preparation of 2,3,4,5-tetrahydro-1H-3-benzazepines | HOFFMANN-LA ROCHE INC. (US) | 1977-12-27 | — | — | US | disclosed |