Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 2/20 | 0.33 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL9215387 | 0.95 | LTA4H (0.37) | CHRNB2CHRNA4LTA4HALDH1A1PDE2A | |
| SCHEMBL9214343 | 0.91 | CHRNB2 (0.39) | CHRNB2CHRNA4LTA4HPDE2AMAOB | |
| SCHEMBL9213249 | 0.89 | CHRNB2 (0.44) | CHRNB2CHRNA4MAOBHRH3DRD3 | |
| SCHEMBL9211008 | 0.86 | CHRNB2 (0.37) | CHRNB2CHRNA4LTA4HPDE2ADRD2 | |
| SCHEMBL9210130 | 0.84 | CHRNB2 (0.42) | CHRNB2CHRNA4DRD3HTR1AMEN1 | |
| SCHEMBL9216989 | 0.83 | HTR1A (0.36) | LTA4HALDH1A1PDE2APRMT5WDR77 | |
| SCHEMBL9207818 | 0.83 | HTR1A (0.43) | ALDH1A1DRD2HTR2ADRD3HTR1A | |
| SCHEMBL9215741 | 0.82 | HTR1A (0.38) | CHRNB2CHRNA4LTA4HALDH1A1PDE2A | |
| Water SCHEMBL9739270 | 0.82 | HTR1A (0.43) | ALDH1A1DRD2HTR2ADRD3HTR1A | |
| SCHEMBL9208812 | 0.82 | DRD2 (0.38) | LTA4HALDH1A1DRD2DRD3LMNA |
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 |