Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12988758 | 0.70 | HDAC8 (0.41) | MEN1KMT2ASMN1; SMN2MCOLN3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1697514 | 0.69 | HDAC8 (0.40) | MEN1KMT2ASMN1; SMN2MCOLN3ALDH1A1 | |
| SCHEMBL820145 | 0.62 | ALDH1A1 (0.35) | SMN1; SMN2KDM4EALDH1A1LMNAGAA | |
| SCHEMBL5394610 | 0.62 | SIGMAR1 (0.44) | SMN1; SMN2KDM4EALDH1A1LMNAGAA | |
| Hydrochloric Acid SCHEMBL819271 | 0.61 | ALDH1A1 (0.34) | SMN1; SMN2KDM4EALDH1A1LMNAGAA | |
| Bromide SCHEMBL18606183 | 0.61 | SIGMAR1 (0.46) | SMN1; SMN2KDM4EALDH1A1LMNAGAA | |
| SCHEMBL16834246 | 0.59 | ALDH1A1 (0.37) | SMN1; SMN2KDM4EALDH1A1LMNAGAA | |
| SCHEMBL760838 | 0.59 | ALDH1A1 (0.33) | SMN1; SMN2KDM4EALDH1A1LMNAGAA | |
| SCHEMBL2126293 | 0.59 | ALDH1A1 (0.33) | SMN1; SMN2KDM4EALDH1A1LMNAGAA | |
| SCHEMBL5790127 | 0.59 | ALDH1A1 (0.37) | SMN1; SMN2KDM4EALDH1A1LMNAGAA |
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-8450305-B2 | Macrocyclic compounds useful as inhibitors of kinases and HSP90 | UNIVERSITE DE STRASBOURG (FR) | 2013-05-28 | — | — | US | disclosed |