Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.30 |
| ▸ | CASP2 | P42575 | 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 | |
|---|---|---|---|---|
| SCHEMBL5147124 | 0.80 | — | — | |
| SCHEMBL7770074 | 0.77 | HDAC3 (0.39) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL7769432 | 0.76 | HDAC3 (0.38) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL7769331 | 0.76 | HDAC3 (0.38) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL8822944 | 0.76 | HDAC3 (0.38) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL7771366 | 0.74 | TSHR (0.34) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL7771082 | 0.74 | EPHX1 (0.40) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL7771071 | 0.74 | CES2 (0.35) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL7765792 | 0.74 | TSHR (0.34) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL7773562 | 0.71 | ALDH1A1 (0.41) | HDAC3HDAC1HDAC2HDAC8HDAC6 |
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-4985043-A | Mixtures of monoazo dyes containing halogen and cyano substituents | CASSELLA AKTIENGESELLSCHAFT (DE) | 1991-01-15 | — | — | US | disclosed |