Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.68 |
| ▸ | PPOX | P50336 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | GPR3 | P46089 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | TGM2 | P21980 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7799443 | 0.91 | S100A4 (0.70) | S100A4PPOXTP53CYP2A6LMNA | |
| SCHEMBL12887899 | 0.91 | S100A4 (0.70) | S100A4PPOXTP53CYP2A6LMNA | |
| SCHEMBL29581505 | 0.82 | S100A4 (0.71) | S100A4PPOXHSP90AA1CES1TGM2 | |
| SCHEMBL1133148 | 0.82 | S100A4 (0.90) | S100A4PPOXHSP90AA1CES1TGM2 | |
| SCHEMBL11876117 | 0.82 | S100A4 (0.80) | S100A4PPOXLMNASMN1; SMN2HSP90AA1 | |
| SCHEMBL10924194 | 0.82 | S100A4 (0.50) | S100A4PPOXTP53CYP2A6LMNA | |
| SCHEMBL30345128 | 0.82 | S100A4 (0.90) | S100A4PPOXHSP90AA1CES1TGM2 | |
| SCHEMBL4319897 | 0.82 | S100A4 (0.71) | S100A4PPOXHSP90AA1CES1TGM2 | |
| SCHEMBL2599342 | 0.82 | S100A4 (1.00) | S100A4PPOXLMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL31677417 | 0.80 | S100A4 (0.57) | S100A4TP53CYP2A6LMNATSHR |
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-113087726-A | Arylamine organic semiconductor material and application thereof in photoelectric device | 浙江大学 | 2021-07-09 | — | — | CN | disclosed |