Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 2/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | STAT3 | P40763 | 1/20 | 0.30 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | SYK | P43405 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9205978 | 0.83 | VDR (0.34) | VDRDHODHALDH1A1KEAP1NFE2L2 | |
| SCHEMBL13954243 | 0.68 | VDR (0.51) | VDRDHODHALDH1A1KEAP1NFE2L2 | |
| SCHEMBL9684266 | 0.68 | VDR (0.48) | VDRDHODHALDH1A1KEAP1NFE2L2 | |
| SCHEMBL8061919 | 0.66 | VDR (0.47) | VDRALDH1A1KEAP1NFE2L2MEN1 | |
| SCHEMBL29995677 | 0.65 | SYK (0.50) | ALDH1A1KMT2AKDM4EMAPTLMNA | |
| SCHEMBL3777059 | 0.65 | SYK (0.50) | ALDH1A1KMT2AKDM4EMAPTLMNA | |
| SCHEMBL2890 | 0.65 | CA9 (0.53) | VDRALDH1A1KMT2AMAPTLMNA | |
| Toluene SCHEMBL9257721 | 0.64 | CA9 (0.51) | VDRALDH1A1MAPTLMNACYP2C9 | |
| Ammonia Solution, Strong SCHEMBL9470841 | 0.64 | CA9 (0.51) | VDRALDH1A1KMT2AMAPTLMNA | |
| SCHEMBL8734172 | 0.63 | HTR6 (0.37) | VDRALDH1A1KEAP1NFE2L2MEN1 |
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 |