Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | NOS1 | P29475 | 3/20 | 0.35 |
| ▸ | NOS2 | P35228 | 3/20 | 0.35 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | SCD | O00767 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.32 |
| ▸ | TACR2 | P21452 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18729403 | 0.77 | CYP1A2 (0.38) | ALDH1A1EPHX1CYP1A2NOS1NOS2 | |
| SCHEMBL4839413 | 0.76 | CYP1A2 (0.39) | ALDH1A1EPHX1CYP1A2 | |
| SCHEMBL5172518 | 0.75 | TSHR (0.40) | ALDH1A1NOS1NOS2NOS3TSHR | |
| SCHEMBL9639306 | 0.74 | TSHR (0.35) | ALDH1A1L3MBTL1TSHRTHRB | |
| SCHEMBL3296884 | 0.73 | CYP1A2 (0.46) | ALDH1A1EPHX1CYP1A2L3MBTL1TSHR | |
| SCHEMBL2690263 | 0.73 | CYP1A2 (0.46) | ALDH1A1EPHX1CYP1A2L3MBTL1TSHR | |
| SCHEMBL2691790 | 0.73 | CYP1A2 (0.46) | ALDH1A1EPHX1CYP1A2L3MBTL1TSHR | |
| SCHEMBL11868944 | 0.73 | SCD (0.39) | ALDH1A1TSHRTHRBSCDESR1 | |
| SCHEMBL11298915 | 0.73 | ALDH1A1 (0.43) | ALDH1A1EPHX1CYP1A2NOS1NOS2 | |
| SCHEMBL21274186 | 0.72 | — | — |
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-117343638-A | Porous spin-on dielectric coating materials from silicon-containing polymers | 上海艾深斯科技有限公司 | 2024-01-05 | — | — | CN | disclosed |