Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.51 |
| ▸ | NOS3 | P29474 | 3/20 | 0.51 |
| ▸ | NOS1 | P29475 | 3/20 | 0.51 |
| ▸ | NOS2 | P35228 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | CTSB | P07858 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8607221 | 0.88 | SLC1A3 (0.61) | CYP1A2ALDH1A1SLC1A3CYP2C9CTSL | |
| SCHEMBL5256446 | 0.88 | SLC1A3 (0.61) | CYP1A2ALDH1A1SLC1A3CYP2C9CTSL | |
| SCHEMBL5256444 | 0.88 | SLC1A3 (0.61) | CYP1A2ALDH1A1SLC1A3CYP2C9CTSL | |
| SCHEMBL21802417 | 0.88 | KDM4E (0.47) | CYP1A2POLBALDH1A1HTTNOS3 | |
| SCHEMBL9421783 | 0.85 | SLC1A3 (0.56) | CYP1A2ALDH1A1SLC1A3MAPTCYP2C9 | |
| SCHEMBL21802382 | 0.84 | CYP1A2 (0.48) | CYP1A2ALDH1A1HTTSLC1A3CYP2C9 | |
| SCHEMBL6449604 | 0.82 | MGLL (0.52) | POLBALDH1A1NOS3NOS1NOS2 | |
| SCHEMBL8662503 | 0.82 | CTSB (0.70) | POLBCYP2C9CYP2D6CTSLCTSB | |
| SCHEMBL21838760 | 0.81 | FAAH (0.46) | CYP1A2SLC1A3CYP2C9CYP2D6CTSL | |
| SCHEMBL28111092 | 0.81 | CTSS (0.53) | CYP1A2POLBALDH1A1HTTMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108299532-B | Antiviral nucleoside analogue prodrug and composition and application thereof | 广东东阳光药业有限公司 | 2020-12-22 | — | — | CN | disclosed |
| CN-108299532-A | A kind of antiviral nucleoside analogue prodrug and combinations thereof, purposes | 广东东阳光药业有限公司 | 2018-07-20 | — | — | CN | disclosed |