Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 3/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | CTSD | P07339 | 1/20 | 0.44 |
| ▸ | CASP2 | P42575 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27109977 | 0.87 | CASP2 (0.44) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL16181435 | 0.87 | HSP90AA1 (0.42) | CA1CA2CA9CA12CES2 | |
| SCHEMBL6309191 | 0.86 | HDAC3 (0.50) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL72463 | 0.84 | MEN1 (0.36) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL20467383 | 0.82 | AKR1B1 (0.43) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL5342131 | 0.82 | HDAC3 (0.39) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL16000779 | 0.81 | CXCR2 (0.36) | CXCR2TP53ALDH1A1GAATSHR | |
| SCHEMBL13300476 | 0.81 | HDAC3 (0.38) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL91071 | 0.81 | GPR84 (0.50) | MEN1MAPTKMT2AALDH1A1HSD17B10 | |
| SCHEMBL16181065 | 0.79 | PLA2G10 (0.37) | CXCR2MEN1KMT2APPARG |
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 |
|---|---|---|---|---|---|---|---|
| US-6331628-B1 | REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2001-12-18 | — | — | US | disclosed |