Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL29051063 | 1.00 | HDAC1 (0.34) | HDAC1CYP17A1CYP21A2CYP11B1CHRNB2 | |
| SCHEMBL29051060 | 1.00 | HDAC1 (0.34) | HDAC1CYP17A1CYP21A2CYP11B1CHRNB2 | |
| SCHEMBL30516393 | 1.00 | HDAC1 (0.34) | HDAC1CYP17A1CYP21A2CYP11B1CHRNB2 | |
| SCHEMBL30516405 | 0.86 | NFE2L2 (0.33) | HDAC1CYP17A1CYP21A2CYP11B1CHRNB2 | |
| SCHEMBL30516395 | 0.81 | — | — | |
| SCHEMBL29051056 | 0.81 | — | — | |
| SCHEMBL30516401 | 0.79 | KDM4E (0.37) | HDAC1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL29051062 | 0.79 | KDM4E (0.37) | HDAC1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL31647135 | 0.75 | HTT (0.36) | HDAC1CYP17A1CYP21A2CYP11B1CHRNB2 | |
| SCHEMBL29220455 | 0.75 | HTT (0.36) | HDAC1CYP17A1CYP21A2CYP11B1CHRNB2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108794449-B | Synthetic method of deuterated fumaric acid vorofacian metabolite | 广东东阳光药业有限公司 | 2023-08-04 | — | — | CN | disclosed |