Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.37 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.34 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29270819 | 0.84 | NOTUM (0.37) | TP53MAPTLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL26961675 | 0.81 | XIAP (0.37) | PTGDR2PTGDRTP53MAPTLMNA | |
| SCHEMBL29270847 | 0.80 | TP53 (0.47) | TP53MAPTLMNASMN1; SMN2NPC1 | |
| SCHEMBL29270690 | 0.80 | ALDH1A1 (0.41) | TP53MAPTLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL29270844 | 0.78 | CNR2 (0.32) | — | |
| SCHEMBL29270781 | 0.78 | TP53 (0.37) | PTGDR2TP53MAPTLMNASMN1; SMN2 | |
| SCHEMBL29270756 | 0.78 | HCRTR1 (0.32) | — | |
| SCHEMBL29270780 | 0.77 | SHMT1 (0.31) | TP53 | |
| SCHEMBL29270810 | 0.77 | TP53 (0.35) | TP53MAPTLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL29270805 | 0.77 | CNR2 (0.34) | — |
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-116964048-A | Bicyclic tetrahydroazepine derivatives for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2023-10-27 | — | — | CN | disclosed |