Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 6/20 | 0.35 |
| ▸ | CES2 | O00748 | 3/20 | 0.35 |
| ▸ | FAAH | O00519 | 8/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL775457 | 0.84 | ALDH1A1 (0.40) | ALDH1A1PLA2G4AFFAR3 | |
| SCHEMBL800 | 0.83 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL8664963 | 0.83 | ALDH1A1 (0.65) | ALDH1A1CES1CES2FAAHHDAC3 | |
| SCHEMBL8158 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CES1CES2HDAC3HDAC1 | |
| SCHEMBL30568759 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CES1CES2HDAC3HDAC1 | |
| SCHEMBL25238221 | 0.80 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL385887 | 0.80 | ALDH1A1 (0.68) | ALDH1A1CES1CES2HDAC3HDAC1 | |
| SCHEMBL28010282 | 0.79 | ALDH1A1 (0.60) | ALDH1A1CES1CES2FAAHLMNA | |
| SCHEMBL9556715 | 0.78 | ALDH1A1 (0.94) | ALDH1A1CES1CES2HDAC3HDAC1 | |
| SCHEMBL10640242 | 0.78 | ALDH1A1 (0.94) | ALDH1A1CES1CES2HDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1200717-A | Process for preparing 4-bromo-1,1-difluorbut-1-ene and 2,4-dibromo-1,1,1-trifluorobutane | ZENECA LTD (GB) | 1998-12-02 | — | — | CN | claimed |
| CN-1200717-A | Process for preparing 4-bromo-1,1-difluorbut-1-ene and 2,4-dibromo-1,1,1-trifluorobutane | ZENECA LTD (GB) | 1998-12-02 | — | — | CN | disclosed |