Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | DGKA | P23743 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23334612 | 0.95 | NAAA (0.58) | NAAAALDH1A1TSHRHCAR2DGKA | |
| SCHEMBL23293937 | 0.89 | NAAA (0.39) | NAAAALDH1A1TSHRHCAR2DGKA | |
| SCHEMBL24434312 | 0.87 | ALDH1A1 (0.44) | NAAAALDH1A1ATMTSHRHPGD | |
| SCHEMBL23292981 | 0.83 | ALDH1A1 (0.47) | NAAAALDH1A1ATMTSHRHPGD | |
| SCHEMBL23331953 | 0.83 | ALDH1A1 (0.57) | NAAAALDH1A1ATMTSHRHPGD | |
| SCHEMBL4675692 | 0.81 | CYP4F2 (0.36) | NAAACYP4F2CYP4A11 | |
| SCHEMBL4679292 | 0.81 | NAAA (0.33) | NAAATSHRCYP4F2CYP4A11CYP1A2 | |
| SCHEMBL4678703 | 0.80 | CYP4F2 (0.43) | ALDH1A1TSHRCYP4F2CYP4A11LMNA | |
| SCHEMBL23581554 | 0.80 | ALDH1A1 (0.44) | NAAAALDH1A1ATMTSHRHPGD | |
| SCHEMBL23292884 | 0.80 | ALDH1A1 (0.44) | NAAAALDH1A1ATMTSHRHPGD |
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-3816268-A1 | ISOBUTYRIC ESTER COMPOUND HAVING PROPANOYLOXY GROUP AT ? POSITION, PERFUME COMPOSITION, AND USE AS PERFUME | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2021-05-05 | — | — | EP | disclosed |