Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 8/20 | 0.53 |
| ▸ | TP53 | P04637 | 7/20 | 0.53 |
| ▸ | LMNA | P02545 | 9/20 | 0.50 |
| ▸ | MERTK | Q12866 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29056198 | 0.94 | ABCG2 (0.53) | ABCG2MAPTTP53LMNAMERTK | |
| SCHEMBL29056252 | 0.90 | ABCG2 (0.51) | ABCG2MAPTTP53LMNAMERTK | |
| SCHEMBL29056288 | 0.89 | MAPT (0.61) | ABCG2MAPTTP53LMNAMERTK | |
| SCHEMBL29056262 | 0.88 | MAPT (0.48) | ABCG2MAPTTP53LMNAMERTK | |
| SCHEMBL29056257 | 0.86 | ABCG2 (0.49) | ABCG2MAPTTP53LMNAMERTK | |
| SCHEMBL29056259 | 0.83 | ABCG2 (0.48) | ABCG2TSHRKDM4ESLC22A12ABCB1 | |
| SCHEMBL29056241 | 0.83 | MAPT (0.57) | ABCG2MAPTTP53LMNAMERTK | |
| SCHEMBL29056215 | 0.82 | MAPT (0.46) | ABCG2MAPTTP53LMNAMERTK | |
| SCHEMBL29056206 | 0.78 | SLC22A12 (0.56) | ABCG2MAPTTP53LMNAMERTK | |
| SCHEMBL29056224 | 0.78 | ABCG2 (0.55) | ABCG2MAPTTP53LMNAMERTK |
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-116640095-A | Diaryl amine derivative containing aliphatic carboxyl and preparation method and application thereof | 山东大学 | 2023-08-25 | — | — | CN | disclosed |