Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 3/20 | 0.38 |
| ▸ | PPARA | Q07869 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | VDR | P11473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28067889 | 0.85 | TYR (0.45) | ACACBTP53TSHRIDO1MEN1 | |
| SCHEMBL3007047 | 0.82 | MME (0.41) | ACACBTP53TSHRMEN1RAB9A | |
| SCHEMBL24897860 | 0.82 | ACACB (0.38) | ACACBPPARGPPARATP53TSHR | |
| SCHEMBL13886151 | 0.82 | ACACB (0.38) | ACACBPPARGPPARATP53TSHR | |
| SCHEMBL15012373 | 0.81 | TRPA1 (0.47) | TP53TSHRIDO1KMT2A | |
| SCHEMBL12942876 | 0.81 | SLC6A2 (0.52) | SLC6A2SLC6A3SLC6A4ACACBPPARG | |
| SCHEMBL11614544 | 0.81 | SLC6A2 (0.52) | SLC6A2SLC6A3SLC6A4ACACBPPARG | |
| SCHEMBL7354997 | 0.80 | TAAR1 (0.53) | SLC6A2SLC6A3SLC6A4MEN1RAB9A | |
| SCHEMBL25209356 | 0.80 | TAAR1 (0.53) | SLC6A2SLC6A3SLC6A4MEN1RAB9A | |
| SCHEMBL24897743 | 0.78 | ALDH1A1 (0.39) | SLC6A4HDAC8TP53TSHRMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0436860-A1 | Process for the preparation of 2-(4-chlorophenyl)-3-methyl-butanoic acid | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-07-17 | — | — | EP | disclosed |