Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | SLC18A2 | Q05940 | 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 | |
|---|---|---|---|---|
| SCHEMBL14782621 | 0.87 | SLC18A3 (0.45) | MEN1KMT2ALMNA | |
| SCHEMBL15535932 | 0.87 | TP53 (0.44) | TSHRNFKB1 | |
| SCHEMBL13741859 | 0.81 | CYP1A2 (0.58) | CYP2D6CYP1A2HIF1AMEN1KMT2A | |
| SCHEMBL16622110 | 0.81 | CYP1A2 (0.58) | CYP2D6CYP1A2HIF1AMEN1KMT2A | |
| SCHEMBL16622109 | 0.81 | CYP1A2 (0.58) | CYP2D6CYP1A2HIF1AMEN1KMT2A | |
| SCHEMBL14783190 | 0.81 | DHODH (0.50) | MEN1KMT2ATSHR | |
| SCHEMBL5381066 | 0.81 | KDM4E (0.59) | — | |
| SCHEMBL4566750 | 0.79 | HTR2A (0.55) | CYP2D6CYP1A2TSHRHTR2AHRH1 | |
| SCHEMBL7496186 | 0.78 | CYP1A2 (0.59) | CYP2D6CYP1A2HIF1ALMNATSHR | |
| SCHEMBL14166189 | 0.78 | CYP2D6 (0.47) | CYP2D6CYP1A2HIF1AMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003068807-A2 | ECHINOCANDIN CYCLIC PEPTIDE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-08-21 | — | — | WO | disclosed |