Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | CTSG | P08311 | 1/20 | 0.33 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.33 |
| ▸ | CMA1 | P23946 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8374682 | 0.87 | ALDH1A1 (0.38) | ALDH1A1TSHR | |
| SCHEMBL385887 | 0.83 | ALDH1A1 (0.68) | ALDH1A1CES2CES1PRSS1CTSG | |
| SCHEMBL30568759 | 0.79 | ALDH1A1 (1.00) | ALDH1A1CES2CES1LMNAFFAR3 | |
| SCHEMBL8158 | 0.79 | ALDH1A1 (1.00) | ALDH1A1CES2CES1LMNAFFAR3 | |
| SCHEMBL27500855 | 0.77 | ALDH1A1 (0.65) | ALDH1A1CES2CES1LMNAFFAR3 | |
| SCHEMBL9556715 | 0.77 | ALDH1A1 (0.94) | ALDH1A1CES2CES1LMNAFFAR3 | |
| SCHEMBL17477083 | 0.77 | ALDH1A1 (0.94) | ALDH1A1CES2CES1LMNAFFAR3 | |
| SCHEMBL28174826 | 0.77 | ALDH1A1 (0.94) | ALDH1A1CES2CES1LMNAFFAR3 | |
| SCHEMBL10640242 | 0.77 | ALDH1A1 (0.94) | ALDH1A1CES2CES1LMNAFFAR3 | |
| Methyl Alcohol SCHEMBL27968813 | 0.77 | ALDH1A1 (0.94) | ALDH1A1CES2CES1LMNAFFAR3 |
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-1999060187-A1 | METAL SURFACE TREATMENT AGENTS, METHODS OF TREATING METAL SURFACES AND PRE-COATED STEEL SHEETS | DACRAL S.A. (FR) | 1999-11-25 | — | — | WO | disclosed |