Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.49 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.44 |
| ▸ | TUBB | P07437 | 1/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.44 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.44 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.44 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.44 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.44 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.44 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27723126 | 0.84 | ALDH1A1 (0.53) | NFE2L2TRPA1HDAC3HDAC1HDAC2 | |
| SCHEMBL5542256 | 0.83 | HIF1A (0.46) | NFE2L2TRPA1HDAC3HDAC1HDAC2 | |
| SCHEMBL4883767 | 0.74 | HDAC3 (0.47) | NFE2L2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL16950132 | 0.71 | HIF1A (0.49) | HDAC3HDAC1HDAC2HDAC8HIF1A | |
| SCHEMBL8747421 | 0.71 | ADH1B (0.54) | HDAC3HDAC1HDAC2HDAC8ALDH1A1 | |
| SCHEMBL28665958 | 0.71 | TRPA1 (0.58) | TRPA1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL30089752 | 0.70 | HIF1A (0.74) | HIF1AALDH1A1HTTKDM1AMAOA | |
| SCHEMBL5534532 | 0.70 | PTPN1 (0.52) | TRPA1TUBB1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL5497383 | 0.70 | NFE2L2 (0.66) | NFE2L2TRPA1TUBB1CYP1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL28585859 | 0.70 | ADH1B (0.52) | HDAC3HDAC1HDAC2HDAC8ALDH1A1 |
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-101072786-B | Be suitable for the chipal compounds as asymmetric transfer hydrogenation catalyzer | DPX HOLDINGS B.V. (NL) | 2015-11-25 | — | — | CN | disclosed |