Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 3/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.43 |
| ▸ | HTR3B | O95264 | 2/20 | 0.43 |
| ▸ | HTR3A | P46098 | 2/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10314487 | 0.88 | SMO (0.48) | CNR2HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL10314489 | 0.86 | SMO (0.49) | CNR2HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL10314602 | 0.80 | SMO (0.45) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL10314486 | 0.79 | SMO (0.48) | KDM4EALDH1A1TP53HSD17B10 | |
| SCHEMBL10314491 | 0.79 | SMO (0.47) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL10314482 | 0.79 | SMO (0.47) | KDM4EALDH1A1TP53HSD17B10 | |
| SCHEMBL10314478 | 0.78 | SMO (0.49) | KDM4EALDH1A1TP53HSD17B10 | |
| SCHEMBL10314483 | 0.77 | SMO (0.51) | KDM4EALDH1A1TP53HSD17B10 | |
| SCHEMBL4288533 | 0.77 | SMO (0.51) | KDM4EALDH1A1TP53HSD17B10 | |
| SCHEMBL10314490 | 0.77 | SMO (0.48) | KDM4EALDH1A1TP53HSD17B10 |
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 |