Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | VDR | P11473 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9213914 | 0.89 | ALDH1A1 (0.39) | CA1CA2HTR2AVDRHTR6 | |
| SCHEMBL9205983 | 0.88 | HTR2A (0.39) | CA1CA2HTR2AALDH1A1LMNA | |
| SCHEMBL580310 | 0.87 | CA1 (0.58) | CA1CA2VDRHTR6ALDH1A1 | |
| SCHEMBL8639499 | 0.75 | ALDH1A1 (0.43) | VDRHTR6ALDH1A1CYP2D6LMNA | |
| SCHEMBL8734172 | 0.75 | HTR6 (0.37) | CA1VDRHTR6ALDH1A1CYP2D6 | |
| SCHEMBL27980204 | 0.75 | CYP2D6 (0.43) | CA1CA2VDRHTR6ALDH1A1 | |
| SCHEMBL7723181 | 0.74 | ALDH1A1 (0.48) | CA1CA2HTR6ALDH1A1CYP2D6 | |
| SCHEMBL7723979 | 0.73 | PSEN1 (0.47) | VDRALDH1A1CYP2D6CYP3A4LMNA | |
| SCHEMBL15727886 | 0.73 | GAA (0.43) | CA1CA2VDRALDH1A1CYP2D6 | |
| SCHEMBL7032005 | 0.73 | CYP2D6 (0.45) | CA1CA2VDRHTR6ALDH1A1 |
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-0319073-B1 | Cyclo-octane neuroprotective agents | MERCK SHARP & DOHME (GB) | 1995-08-23 | — | — | EP | disclosed |
| US-4927819-A | ANTICONVULSANT, PREVENTION OF NEURODEGENERATIVE DISORDERS | MERCK SHARP & DOHME LIMITED (GB) | 1990-05-22 | — | — | US | disclosed |
| EP-0319073-A2 | Cyclo-octane neuroprotective agents | MERCK SHARP & DOHME LTD. (GB) | 1989-06-07 | — | — | EP | disclosed |