Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.51 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.51 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16064879 | 0.84 | ALDH1A1 (0.50) | ALDH1A1ITGB1ITGA4CYP17A1KDM4E | |
| SCHEMBL8333419 | 0.81 | ALDH1A1 (0.48) | ALDH1A1ITGB1ITGA4CYP17A1KDM4E | |
| SCHEMBL7705993 | 0.81 | ALDH1A1 (0.67) | ALDH1A1ITGB1ITGA4CYP17A1KDM4E | |
| SCHEMBL1758676 | 0.76 | SMN1; SMN2 (0.58) | ALDH1A1ITGB1ITGA4CYP17A1KDM4E | |
| SCHEMBL13841594 | 0.76 | KDM4E (0.50) | ALDH1A1KDM4EPKMLMNACA2 | |
| SCHEMBL8865206 | 0.75 | ITGB1 (0.51) | ALDH1A1ITGB1ITGA4CYP17A1KDM4E | |
| SCHEMBL22111886 | 0.75 | ITGB1 (0.45) | ALDH1A1ITGB1ITGA4CYP17A1KDM4E | |
| SCHEMBL24568133 | 0.74 | MMP1 (0.41) | ALDH1A1KDM4EPKMLMNACA2 | |
| SCHEMBL27431731 | 0.74 | ALDH1A1 (0.40) | ALDH1A1ITGB1ITGA4CYP17A1KDM4E | |
| SCHEMBL7702205 | 0.73 | ALDH1A1 (0.59) | ALDH1A1ITGB1ITGA4CYP17A1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6348625-B1 | TREATING CORRESPONDING CARBOXYLIC ACID FUNCTIONAL GROUP WITH N,N-DIETHYL-1,1,2,3,3,3-HEXAFLUOROPROPYLAMINE FOLLOWED BY AMMONIA | ANDERSON GLORIA LONG (US) | 2002-02-19 | — | — | US | claimed |
| US-6348625-B1 | TREATING CORRESPONDING CARBOXYLIC ACID FUNCTIONAL GROUP WITH N,N-DIETHYL-1,1,2,3,3,3-HEXAFLUOROPROPYLAMINE FOLLOWED BY AMMONIA | ANDERSON GLORIA LONG (US) | 2002-02-19 | — | — | US | disclosed |