Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 8/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.31 |
| ▸ | PAM | P19021 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.31 |
| ▸ | MAPT | P10636 | 4/20 | 0.31 |
| ▸ | GMNN | O75496 | 3/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.31 |
| ▸ | BLM | P54132 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL9718333 | 0.94 | LMNA (0.39) | LMNAALDH1A1MAPK1MAPT | |
| SCHEMBL11289512 | 0.91 | KDM6B (0.33) | — | |
| SCHEMBL11291928 | 0.89 | TSHR (0.35) | TSHRLMNAALDH1A1PAMMAPT | |
| SCHEMBL4445941 | 0.84 | LMNA (0.36) | LMNAALDH1A1 | |
| SCHEMBL30038608 | 0.80 | ALDH1A1 (0.32) | ALDH1A1MAPT | |
| SCHEMBL29796685 | 0.80 | ALDH1A1 (0.33) | ALDH1A1MAPT | |
| SCHEMBL43993 | 0.80 | ALDH1A1 (0.33) | ALDH1A1MAPT | |
| SCHEMBL11289530 | 0.79 | KDM6B (0.33) | LMNA | |
| SCHEMBL2945876 | 0.79 | ALDH1A1 (0.31) | ALDH1A1MAPT | |
| SCHEMBL6575865 | 0.78 | LMNA (0.54) | LMNAALDH1A1PAMMAPK1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4316987-A | Partial (2,2,4-trimethylpentane-1,3-diol monoisobutyrate) esters of polycarboxylic acids and water-soluble salts of said partial esters | TENNECOCHEMICALS, INC. (US) | 1982-02-23 | — | — | US | claimed |