Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | CTSD | P07339 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3327988 | 0.87 | TSHR (0.36) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL4592421 | 0.86 | CES2 (0.39) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL7987120 | 0.84 | — | — | |
| SCHEMBL3779830 | 0.76 | FFAR3 (0.32) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL7649573 | 0.76 | CES2 (0.39) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL6310833 | 0.76 | CES2 (0.39) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL7987875 | 0.76 | FFAR3 (0.32) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL7468856 | 0.73 | CES1 (0.44) | CES2CES1TSHRALDH1A1 | |
| SCHEMBL3327732 | 0.70 | CES2 (0.33) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL3992858 | 0.67 | — | — |
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 |