Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.56 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.56 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.48 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | CCR3 | P51677 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL803678 | 0.86 | CHRNB2 (0.54) | CHRNB2CHRNA4CACNA1IALDH1A1MAPT | |
| SCHEMBL23291216 | 0.86 | CHRNB2 (0.56) | CHRNB2CHRNA4CACNA1IALDH1A1MAPT | |
| SCHEMBL23291215 | 0.86 | CHRNB2 (0.56) | CHRNB2CHRNA4CACNA1IALDH1A1MAPT | |
| SCHEMBL9208094 | 0.84 | CHRM2 (0.46) | SIGMAR1CHRM2CHRM1CHRM3 | |
| SCHEMBL5969123 | 0.83 | CCR3 (0.64) | ALDH1A1MAPTHTTSIGMAR1KDM4E | |
| SCHEMBL5969122 | 0.83 | CCR3 (0.64) | ALDH1A1MAPTHTTSIGMAR1KDM4E | |
| SCHEMBL938061 | 0.81 | CHRNB2 (0.61) | CHRNB2CHRNA4ALDH1A1MAPTHTT | |
| SCHEMBL6975576 | 0.79 | CHRNB2 (0.59) | CHRNB2CHRNA4ALDH1A1MAPTHTT | |
| SCHEMBL6399377 | 0.79 | CHRNB2 (0.59) | CHRNB2CHRNA4ALDH1A1MAPTHTT | |
| SCHEMBL6398126 | 0.79 | CHRNB2 (0.59) | CHRNB2CHRNA4ALDH1A1MAPTHTT |
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 |