Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | DGKA | P23743 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PAM | P19021 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | CTSG | P08311 | 1/20 | 0.34 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.34 |
| ▸ | CMA1 | P23946 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8373337 | 0.88 | ALDH1A1 (0.46) | ALDH1A1TSHR | |
| SCHEMBL27516388 | 0.84 | ALDH1A1 (0.50) | ALDH1A1DGKACES1CES2LMNA | |
| Fluoride SCHEMBL28138819 | 0.83 | ALDH1A1 (0.65) | ALDH1A1DGKACES1CES2LMNA | |
| SCHEMBL242588 | 0.81 | ALDH1A1 (0.68) | ALDH1A1DGKACES1CES2LMNA | |
| SCHEMBL27467140 | 0.79 | ALDH1A1 (0.65) | ALDH1A1DGKACES1CES2LMNA | |
| SCHEMBL28711347 | 0.78 | DGKA (0.44) | ALDH1A1DGKACES2LMNAPAM | |
| SCHEMBL7060628 | 0.77 | ALDH1A1 (0.79) | ALDH1A1DGKACES1CES2LMNA | |
| SCHEMBL871384 | 0.77 | ALDH1A1 (0.79) | ALDH1A1DGKACES1CES2LMNA | |
| SCHEMBL1036873 | 0.77 | ALDH1A1 (0.62) | ALDH1A1DGKACES1CES2LMNA | |
| SCHEMBL2825810 | 0.77 | ALDH1A1 (0.62) | ALDH1A1DGKACES1CES2LMNA |
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 |