Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 2/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.50 |
| ▸ | CASP2 | P42575 | 1/20 | 0.47 |
| ▸ | CTSD | P07339 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | DGKA | P23743 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9281603 | 0.98 | CNR2 (0.54) | CNR2TRPV1CNR1CASP2CTSD | |
| SCHEMBL27385830 | 0.96 | CNR2 (0.57) | CNR2TRPV1CNR1CASP2CTSD | |
| SCHEMBL21415423 | 0.92 | CNR2 (0.51) | CNR2TRPV1CNR1CASP2CTSD | |
| SCHEMBL3758968 | 0.88 | CNR2 (0.66) | CNR2TRPV1CNR1HDAC3HDAC1 | |
| SCHEMBL8313083 | 0.86 | TRPV1 (0.63) | CNR2TRPV1CNR1HSP90AA1DGKA | |
| SCHEMBL5187690 | 0.83 | CNR2 (0.56) | CNR2TRPV1CNR1CTSDHDAC3 | |
| SCHEMBL840650 | 0.83 | CTSD (0.52) | CNR2TRPV1CNR1CASP2CTSD | |
| SCHEMBL13225167 | 0.82 | CNR2 (0.44) | CNR2TRPV1CNR1CASP2CTSD | |
| SCHEMBL4141685 | 0.82 | CNR2 (0.50) | CNR2TRPV1CNR1EPHX1HSP90AA1 | |
| SCHEMBL28945729 | 0.82 | CNR2 (0.50) | CNR2TRPV1CNR1EPHX1HSP90AA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104072394-B | The manufacture method of nitrile compound | 住友化学株式会社 | 2017-04-05 | — | — | CN | disclosed |
| CN-104072528-A | Preparation method for boron compound | SUMITOMO CHEMICAL CO | 2014-10-01 | — | — | CN | disclosed |
| CN-104072394-A | Method for producing a nitrile compound | SUMITOMO CHEMICAL CO | 2014-10-01 | — | — | CN | disclosed |