Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 6/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL971459 | 0.85 | NAAA (0.52) | ALDH1A1TSHRNAAANPC1TP53 | |
| SCHEMBL20262457 | 0.83 | ALDH1A1 (0.44) | ALDH1A1ATMTSHRNAAAL3MBTL1 | |
| SCHEMBL13517350 | 0.83 | ALDH1A1 (0.44) | ALDH1A1ATMTSHRNAAAL3MBTL1 | |
| SCHEMBL13518257 | 0.81 | ALDH1A1 (0.45) | ALDH1A1ATMTSHRNAAAL3MBTL1 | |
| SCHEMBL20262484 | 0.81 | ALDH1A1 (0.45) | ALDH1A1ATMTSHRNAAAL3MBTL1 | |
| SCHEMBL28052037 | 0.77 | FAAH (0.37) | ALDH1A1NAAAL3MBTL1TDP1KMT2A | |
| SCHEMBL13517259 | 0.75 | ALDH1A1 (0.37) | ALDH1A1ATMTSHRL3MBTL1TDP1 | |
| SCHEMBL13517949 | 0.74 | ALDH1A1 (0.36) | ALDH1A1ATMTSHRL3MBTL1TDP1 | |
| SCHEMBL13517672 | 0.73 | ALDH1A1 (0.38) | ALDH1A1ATMTSHRL3MBTL1TDP1 | |
| SCHEMBL4911652 | 0.73 | TSHR (0.47) | ALDH1A1TSHRNAAAHPGDLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-105418363-A | Synthetic method for 4-tertiary butyl cyclohexaneacetic acid | SHANDONG CHUANCHENG PHARMACEUTICAL CO LTD | 2016-03-23 | — | — | CN | disclosed |