Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GLP1R | P43220 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SSTR5 | P35346 | 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 | |
|---|---|---|---|---|
| SCHEMBL1061151 | 0.92 | SMO (0.46) | CYP3A4CYP2C19GLP1RKDM4EALDH1A1 | |
| SCHEMBL1062099 | 0.90 | ALDH1A1 (0.42) | CYP3A4CYP2C19GLP1RKDM4EALDH1A1 | |
| SCHEMBL10314466 | 0.90 | ALDH1A1 (0.42) | CYP3A4CYP2C19GLP1RKDM4EALDH1A1 | |
| SCHEMBL1062337 | 0.83 | SMO (0.45) | KDM4EALDH1A1TP53HSD17B10 | |
| SCHEMBL17667836 | 0.82 | F10 (0.41) | KDM4EALDH1A1TP53HSD17B10 | |
| SCHEMBL1058624 | 0.81 | KDM4E (0.41) | KDM4EALDH1A1TP53HSD17B10 | |
| SCHEMBL10314486 | 0.79 | SMO (0.48) | KDM4EALDH1A1TP53HSD17B10TSHR | |
| SCHEMBL1062151 | 0.79 | SMO (0.46) | KDM4EALDH1A1TP53HSD17B10 | |
| SCHEMBL1061519 | 0.79 | SMO (0.45) | KDM4EALDH1A1TP53HSD17B10 | |
| SCHEMBL10314483 | 0.79 | SMO (0.51) | KDM4EALDH1A1TP53HSD17B10TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2247588-B1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2016-04-13 | — | — | EP | disclosed |