Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6472101 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL11878844 | 0.96 | ALDH1A1 (0.40) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| Ammonia Solution, Strong SCHEMBL8990290 | 0.93 | ALDH1A1 (0.38) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| Hydrazine SCHEMBL11882186 | 0.89 | ALDH1A1 (0.36) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL9101388 | 0.82 | — | — | |
| SCHEMBL23879222 | 0.79 | ALDH1A1 (0.35) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL22575675 | 0.79 | — | — | |
| SCHEMBL1017098 | 0.79 | — | — | |
| SCHEMBL9353179 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL4626476 | 0.78 | CES2 (0.44) | ALDH1A1CES2CES1HDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005030710-A1 | TERT-DODECANETHIOL | BASF AKTIENGESELLSCHAFT (DE) | 2005-04-07 | — | — | WO | disclosed |