Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GFER | P55789 | 1/20 | 0.51 |
| ▸ | CNR1 | P21554 | 3/20 | 0.43 |
| ▸ | CNR2 | P34972 | 3/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27721422 | 0.81 | IL1R1 (0.47) | GFERCNR1CNR2ABCB1PTGS1 | |
| SCHEMBL29169607 | 0.71 | CHRM2 (0.47) | GFERCNR1CNR2ABCB1PTGS1 | |
| SCHEMBL6426709 | 0.71 | GFER (0.43) | GFERLMNAALDH1A1MAPTMTNR1A | |
| SCHEMBL10820374 | 0.71 | CHRM2 (0.47) | CNR1CNR2ABCB1PTGS1PTGS2 | |
| SCHEMBL20242384 | 0.70 | GFER (0.59) | GFERPLA2G2ALMNAALDH1A1HDAC6 | |
| SCHEMBL27935661 | 0.70 | IL1R1 (0.44) | GFERCNR1CNR2ABCB1PTGS1 | |
| SCHEMBL30842316 | 0.69 | CHRM2 (0.45) | GFERCNR1CNR2ABCB1PTGS1 | |
| SCHEMBL12571251 | 0.69 | ABCB1 (0.61) | CNR1CNR2ABCB1PTGS1PTGS2 | |
| SCHEMBL996292 | 0.68 | ABCB1 (0.50) | GFERCNR1CNR2ABCB1PTGS1 | |
| SCHEMBL14245254 | 0.68 | CHRM2 (0.49) | ABCB1PTGS1PTGS2PLA2G2APOLB |
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-110041335-A | It is a kind of to improve the water-soluble method of couroupitine A, tryptamines ketone derivatives and its preparation method and application | 同济大学 | 2019-07-23 | — | — | CN | disclosed |