Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 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 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL11518372 | 0.80 | TDP1 (0.45) | CES2FFAR3ALDH1A1 | |
| SCHEMBL810202 | 0.79 | — | — | |
| SCHEMBL6269143 | 0.78 | CES2 (0.39) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL25403873 | 0.76 | TSHR (0.39) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL1701664 | 0.76 | CES2 (0.53) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL29053185 | 0.73 | CES2 (0.50) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL5667473 | 0.73 | CES2 (0.50) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL3126473 | 0.73 | CES2 (0.50) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL11434918 | 0.73 | CES2 (0.50) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL7252681 | 0.73 | CES2 (0.42) | CES2HAO1 |
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-4180386-A | ANTIKNOCK FUEL ADDITIVES | E. I. DU PONT DE NEMOURS & COMPANY (US) | 1979-12-25 | — | — | US | disclosed |