Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | P2RY12 | Q9H244 | 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 | |
|---|---|---|---|---|
| SCHEMBL29270722 | 0.93 | CHRM2 (0.38) | CHRM2CHRM4 | |
| SCHEMBL29270828 | 0.93 | TP53 (0.34) | TP53MAPTLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL29270781 | 0.92 | TP53 (0.37) | TP53MAPTLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL29270773 | 0.90 | EGLN2 (0.34) | CHRM2CHRM4 | |
| SCHEMBL29270810 | 0.88 | TP53 (0.35) | TP53MAPTLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL29270690 | 0.86 | ALDH1A1 (0.41) | TP53MAPTLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL29270772 | 0.86 | TP53 (0.35) | TP53MAPTLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL29270721 | 0.83 | CNR2 (0.32) | TP53 | |
| SCHEMBL29270780 | 0.82 | SHMT1 (0.31) | TP53 | |
| SCHEMBL29270726 | 0.81 | TP53 (0.37) | TP53MAPTLMNASMN1; SMN2ALDH1A1 |
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 |