Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | HTR3A | P46098 | 3/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.50 |
| ▸ | HTR3B | O95264 | 2/20 | 0.50 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.50 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ELANE | P08246 | 2/20 | 0.47 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL9775796 | 0.91 | KDM4E (0.54) | KDM4EHTR3AHTR3EHTR3BHTR3D | |
| Fumaric Acid SCHEMBL9775801 | 0.91 | KDM4E (0.54) | KDM4EHTR3AHTR3EHTR3BHTR3D | |
| Fumaric Acid SCHEMBL9775792 | 0.91 | KDM4E (0.54) | KDM4EHTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL19902669 | 0.89 | KDM4E (0.56) | KDM4EHTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL18313403 | 0.87 | KDM4E (0.57) | KDM4EHTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL6858031 | 0.81 | KDM4E (0.56) | KDM4EHTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL496589 | 0.81 | KDM4E (0.62) | KDM4EHTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL30251861 | 0.81 | KDM4E (0.62) | KDM4EHTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL7297926 | 0.81 | KDM4E (0.62) | KDM4EHTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL30467838 | 0.81 | KDM4E (0.62) | KDM4EHTR3AHTR3EHTR3BHTR3D |
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 |
|---|---|---|---|---|---|---|---|
| US-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |