Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | DGKA | P23743 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15071341 | 0.86 | CYP1A2 (0.45) | CYP1A2MEN1ALDH1A1KMT2A | |
| SCHEMBL764943 | 0.79 | TSHR (0.50) | MEN1ALDH1A1KMT2A | |
| SCHEMBL27286986 | 0.79 | CES2 (0.31) | ALDH1A1 | |
| SCHEMBL1700886 | 0.77 | CYP1A2 (0.48) | CYP1A2ALDH1A1KMT2A | |
| SCHEMBL20128920 | 0.76 | APP (0.33) | ALDH1A1 | |
| SCHEMBL10697189 | 0.75 | CYP1A2 (0.38) | CYP1A2HTR2C | |
| SCHEMBL30608969 | 0.74 | CYP1A2 (0.42) | CYP1A2HTR2CDGKAMEN1ALDH1A1 | |
| SCHEMBL28049098 | 0.74 | MEN1 (0.34) | CYP1A2MEN1ALDH1A1THRBKMT2A | |
| SCHEMBL1149299 | 0.73 | — | — | |
| SCHEMBL6242798 | 0.72 | CYP1A2 (0.44) | CYP1A2HTR2CDGKAALDH1A1THRB |
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-112174960-B | Toll-like receptor modulating 4, 6-diamino-pyrido [3,2-D ] pyrimidine compounds | 吉利德科学公司 | 2023-10-10 | — | — | CN | disclosed |