Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 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 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.30 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.30 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
| ▸ | MET | P08581 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL28558398 | 0.84 | CHRNB2 (0.38) | ERN1NAPRTCYP2C19HTTCHRNB2 | |
| SCHEMBL29538386 | 0.84 | CHRNB2 (0.38) | ERN1NAPRTCYP2C19HTTCHRNB2 | |
| SCHEMBL30516400 | 0.82 | KDM4E (0.38) | NAPRTHTTCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL30516399 | 0.82 | KDM4E (0.38) | NAPRTHTTCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL30516405 | 0.78 | NFE2L2 (0.33) | ERN1NAPRTHTTCHRNB2CHRNB4 | |
| SCHEMBL30544721 | 0.78 | NAPRT (0.41) | ERN1NAPRTCYP2C19CHRNB2CHRNB4 | |
| SCHEMBL1156745 | 0.74 | NAPRT (0.42) | NAPRTCYP2C19KDM4EFGFR4MET | |
| SCHEMBL28512380 | 0.73 | NAPRT (0.41) | ERN1NAPRTCYP2C19KDM4EFGFR4 | |
| SCHEMBL30516401 | 0.71 | KDM4E (0.37) | NAPRTHTTCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL29051062 | 0.71 | KDM4E (0.37) | NAPRTHTTCHRNB2CHRNB4CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 |
| 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 |