Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F10 | P00742 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SMO | Q99835 | 1/20 | 0.39 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1057353 | 0.93 | SMO (0.47) | F10DRD4KDM4EALDH1A1TP53 | |
| SCHEMBL1062334 | 0.91 | SMO (0.42) | F10DRD4KDM4EALDH1A1TP53 | |
| SCHEMBL1083650 | 0.85 | F10 (0.47) | F10DRD4TP53SMO | |
| SCHEMBL13708897 | 0.82 | F10 (0.46) | F10DRD4TP53 | |
| SCHEMBL17667835 | 0.82 | CYP3A4 (0.43) | KDM4EALDH1A1TP53HSD17B10 | |
| SCHEMBL12963074 | 0.78 | DRD4 (0.43) | DRD4ALDH1A1 | |
| SCHEMBL1064521 | 0.78 | ALDH1A1 (0.44) | DRD4KDM4EALDH1A1TP53HSD17B10 | |
| SCHEMBL1062151 | 0.77 | SMO (0.46) | KDM4EALDH1A1TP53HSD17B10SMO | |
| SCHEMBL10314488 | 0.77 | SMO (0.53) | KDM4EALDH1A1TP53HSD17B10SMO | |
| SCHEMBL12933479 | 0.77 | TP53 (0.46) | KDM4EALDH1A1TP53HSD17B10SMO |
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 |