Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.52 |
| ▸ | BMP1 | P13497 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | PTGES | O14684 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2006245 | 0.88 | ESR1 (0.60) | ESR1BMP1GAAHTT | |
| SCHEMBL14502622 | 0.82 | KEAP1 (0.66) | ESR1BMP1GAAHTTPTGES | |
| SCHEMBL2704489 | 0.82 | KEAP1 (0.58) | ESR1BMP1GAAHTT | |
| SCHEMBL28944091 | 0.81 | SMN1; SMN2 (0.45) | PTGESALOX5MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL2703770 | 0.76 | KEAP1 (0.54) | ESR1KDM4EALDH1A1LMNA | |
| SCHEMBL28772752 | 0.75 | ESR1 (0.46) | ESR1BMP1GAAHTTALDH1A1 | |
| SCHEMBL19892767 | 0.72 | SMN1; SMN2 (0.58) | GAAHTTMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL2702928 | 0.72 | KMT2A (0.48) | MAPTSMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL16794196 | 0.72 | PTGER1 (0.54) | GAAHTTSMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL483246 | 0.72 | ESR1 (0.56) | ESR1BMP1ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107848971-A | Heterocyclic compound | 武田药品工业株式会社 | 2018-03-27 | — | — | CN | disclosed |