Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 2/20 | 0.76 |
| ▸ | CNR2 | P34972 | 1/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.70 |
| ▸ | HPGD | P15428 | 2/20 | 0.68 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.63 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.62 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.62 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.62 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.62 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.62 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.62 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.62 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.62 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.62 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.62 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.62 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.62 |
| ▸ | STS | P08842 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL20399568 | 0.96 | CNR1 (0.70) | CNR1CNR2ALDH1A1HPGDEPHX2 | |
| SCHEMBL16762031 | 0.95 | CNR1 (0.82) | CNR1CNR2ALDH1A1EPHX2STS | |
| SCHEMBL12215285 | 0.94 | CNR1 (0.85) | CNR1CNR2ALDH1A1HPGDEPHX2 | |
| SCHEMBL12127405 | 0.90 | CNR1 (0.67) | CNR1CNR2ALDH1A1NPC1 | |
| SCHEMBL11873499 | 0.88 | ALDH1A1 (0.70) | CNR1CNR2ALDH1A1TRPV1NPC1 | |
| SCHEMBL18255425 | 0.87 | CNR1 (1.00) | CNR1CNR2HPGDEPHX2TRPV1 | |
| SCHEMBL23000078 | 0.86 | ALDH1A1 (0.68) | CNR1CNR2ALDH1A1HPGDTRPV1 | |
| SCHEMBL17009241 | 0.86 | ALDH1A1 (0.68) | CNR1CNR2ALDH1A1TRPV1NPC1 | |
| SCHEMBL8269670 | 0.86 | HPGD (0.66) | CNR1CNR2ALDH1A1HPGDEPHX2 | |
| SCHEMBL28820388 | 0.86 | ALDH1A1 (0.68) | CNR1CNR2ALDH1A1EPHX2TRPV1 |
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-109896918-B | Unsaturated carbonyl compound and preparation method and application thereof | 北京大学深圳研究生院 | 2022-05-06 | — | — | CN | disclosed |
| WO-2011006935-A2 | TETRAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-01-20 | — | — | WO | disclosed |