Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | TACR2 | P21452 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 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 | |
|---|---|---|---|---|
| SCHEMBL5749230 | 0.74 | TDP1 (0.46) | PTGS2CYP3A4TDP1L3MBTL1ESR1 | |
| SCHEMBL21052798 | 0.74 | TDP1 (0.46) | PTGS2CYP3A4TDP1L3MBTL1ESR1 | |
| SCHEMBL5745373 | 0.74 | TDP1 (0.46) | PTGS2CYP3A4TDP1L3MBTL1ESR1 | |
| SCHEMBL5748773 | 0.74 | TDP1 (0.46) | PTGS2CYP3A4TDP1L3MBTL1ESR1 | |
| SCHEMBL19697178 | 0.71 | TDP1 (0.49) | PTGS2CYP3A4TDP1L3MBTL1ESR1 | |
| SCHEMBL20467132 | 0.71 | TDP1 (0.49) | PTGS2CYP3A4TDP1L3MBTL1ESR1 | |
| SCHEMBL21230532 | 0.71 | TDP1 (0.49) | PTGS2CYP3A4TDP1L3MBTL1ESR1 | |
| SCHEMBL27563659 | 0.71 | TDP1 (0.57) | PTGS2CYP3A4TDP1L3MBTL1ESR1 | |
| SCHEMBL5836620 | 0.71 | TDP1 (0.47) | PTGS2CYP3A4TDP1L3MBTL1ESR1 | |
| SCHEMBL922743 | 0.70 | PTGS2 (0.43) | PTGS2CYP3A4ESR1ADRA2AADORA3 |
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-116249528-A | Cold treating agent and antiviral agent | 株式会社大塚制药工场 | 2023-06-09 | — | — | CN | disclosed |