Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PORCN | Q9H237 | 3/20 | 0.59 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.59 |
| ▸ | RXFP1 | Q9HBX9 | 6/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28770889 | 0.92 | TRPA1 (0.61) | PORCNTRPA1RXFP1TP53THRB | |
| SCHEMBL29147316 | 0.91 | PORCN (0.64) | PORCNTRPA1RXFP1TP53THRB | |
| SCHEMBL29147252 | 0.91 | RXFP1 (0.61) | PORCNTRPA1RXFP1TP53THRB | |
| SCHEMBL29147399 | 0.90 | RXFP1 (0.57) | PORCNTRPA1RXFP1TP53THRB | |
| SCHEMBL28770886 | 0.87 | RXFP1 (0.63) | PORCNTRPA1RXFP1TP53THRB | |
| SCHEMBL29147314 | 0.87 | PORCN (0.58) | PORCNTRPA1RXFP1TP53THRB | |
| SCHEMBL3826453 | 0.86 | TRPA1 (0.77) | PORCNTRPA1RXFP1TP53THRB | |
| SCHEMBL29147346 | 0.86 | RXFP1 (0.59) | PORCNTRPA1RXFP1TP53THRB | |
| SCHEMBL29727008 | 0.86 | THRB (0.61) | PORCNTRPA1RXFP1TP53THRB | |
| SCHEMBL28770928 | 0.86 | THRB (0.61) | PORCNTRPA1RXFP1TP53THRB |
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-114671874-B | Theophylline acetic acid derivative with anti-tumor activity and preparation method and application thereof | 济南爱思医药科技有限公司 | 2024-02-02 | — | — | CN | disclosed |