Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 2/20 | 0.51 |
| ▸ | BIRC2 | Q13490 | 2/20 | 0.51 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 4/20 | 0.45 |
| ▸ | HTR2C | P28335 | 4/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.37 |
| ▸ | RHOC | P08134 | 1/20 | 0.37 |
| ▸ | RHOA | P61586 | 1/20 | 0.37 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8902574 | 0.79 | XIAP (0.53) | XIAPBIRC2CNR2NOTUMHTR2A | |
| SCHEMBL23207270 | 0.75 | XIAP (0.58) | XIAPBIRC2CNR2NOTUMHTR2A | |
| SCHEMBL8893534 | 0.75 | XIAP (0.58) | XIAPBIRC2CNR2NOTUMHTR2A | |
| SCHEMBL30038606 | 0.74 | NOTUM (0.78) | XIAPBIRC2CNR2NOTUMHTR2A | |
| SCHEMBL8902884 | 0.73 | XIAP (0.54) | XIAPBIRC2CNR2NOTUMHTR2A | |
| SCHEMBL2530222 | 0.72 | CNR2 (0.62) | XIAPBIRC2CNR2NOTUMHTR2A | |
| SCHEMBL16600192 | 0.71 | CNR2 (0.61) | XIAPBIRC2CNR2NOTUMHTR2A | |
| SCHEMBL19428179 | 0.70 | ROCK1 (0.61) | XIAPBIRC2CNR2NOTUMHTR2A | |
| SCHEMBL15837643 | 0.67 | XIAP (1.00) | XIAPBIRC2 | |
| SCHEMBL17160784 | 0.67 | XIAP (1.00) | XIAPBIRC2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997045408-A1 | HERBICIDAL INDOLINES | ZENECA LIMITED (GB) | 1997-12-04 | — | — | WO | disclosed |