Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | DGKA | P23743 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | PAM | P19021 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | SMYD3 | Q9H7B4 | 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 | |
|---|---|---|---|---|
| SCHEMBL29750121 | 0.82 | CYP1A2 (0.53) | CYP1A2DGKATSHRALDH1A1SMYD3 | |
| SCHEMBL19432369 | 0.78 | TSHR (0.58) | TSHRMAPTALDH1A1CNR1MEN1 | |
| SCHEMBL1401913 | 0.76 | CYP1A2 (0.52) | CYP1A2DGKATSHRHTR2CPAM | |
| SCHEMBL15628141 | 0.76 | EPHX2 (0.37) | TSHR | |
| SCHEMBL30608971 | 0.74 | CYP1A2 (0.39) | CYP1A2DGKAHTR2CALDH1A1THRB | |
| SCHEMBL27713953 | 0.74 | DGKA (0.50) | CYP1A2DGKATSHRHTR2CPAM | |
| SCHEMBL10697189 | 0.74 | CYP1A2 (0.38) | CYP1A2HTR2CMAPT | |
| SCHEMBL27873348 | 0.73 | — | — | |
| SCHEMBL15920998 | 0.72 | CYP1A2 (0.55) | CYP1A2DGKATSHRALDH1A1SMYD3 | |
| SCHEMBL18799241 | 0.72 | DGKA (0.55) | DGKATSHRHTR2CPAMMAPT |
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 |