Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.37 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11246895 | 0.97 | ALDH1A1 (0.46) | ALDH1A1TSHRTHRBRECQLLCK | |
| SCHEMBL11246871 | 0.79 | ALDH1A1 (0.31) | ALDH1A1TSHR | |
| SCHEMBL8370081 | 0.76 | ALDH1A1 (0.50) | ALDH1A1TSHRTHRBRECQLLCK | |
| SCHEMBL11658477 | 0.75 | ALDH1A1 (0.44) | ALDH1A1TSHRTHRBRECQLLCK | |
| SCHEMBL11022237 | 0.74 | ALDH1A1 (0.48) | ALDH1A1TSHRTHRBRECQLLCK | |
| SCHEMBL21459571 | 0.74 | ALDH1A1 (0.48) | ALDH1A1TSHRTHRBRECQLLCK | |
| SCHEMBL1691839 | 0.74 | ALDH1A1 (0.48) | ALDH1A1TSHRTHRBRECQLLCK | |
| Hydrochloric Acid SCHEMBL11258754 | 0.74 | ALDH1A1 (0.48) | ALDH1A1TSHRTHRBRECQLLCK | |
| SCHEMBL6897321 | 0.74 | ALDH1A1 (0.48) | ALDH1A1TSHRTHRBRECQLLCK | |
| SCHEMBL11381471 | 0.72 | CHRM1 (0.38) | ALDH1A1TSHRLMNATP53 |
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-1999062865-A1 | HALOETHYL-2-[ (2,6-DICHLOROPHENYL) AMINO] PHENYLACETOXYACETATE DERIVATIVES AND THEIR USE AS AN INTERMEDIATE TO SYNTHESIZE ACECLOFENAC | KIM JAE CHUL (KR) | 1999-12-09 | — | — | WO | disclosed |