Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | KCNN4 | O15554 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL1264373 | 0.80 | MAPK1 (0.48) | MAPK1TSHRCES1KCNN4ALDH1A1 | |
| SCHEMBL28797203 | 0.78 | MAPK1 (0.46) | MAPK1TSHRCES1KCNN4ALDH1A1 | |
| SCHEMBL18663547 | 0.77 | MAPK1 (0.50) | MAPK1TSHRKCNN4ALDH1A1ALOX15 | |
| SCHEMBL914885 | 0.76 | ALDH1A1 (0.50) | MAPK1TSHRCES1KCNN4ALDH1A1 | |
| SCHEMBL4073627 | 0.76 | TSHR (0.50) | MAPK1TSHRCES1KCNN4ALDH1A1 | |
| SCHEMBL10707751 | 0.76 | TSHR (0.50) | MAPK1TSHRCES1KCNN4ALDH1A1 | |
| SCHEMBL10499996 | 0.76 | TSHR (0.50) | MAPK1TSHRCES1KCNN4ALDH1A1 | |
| SCHEMBL28337912 | 0.75 | TSHR (0.44) | MAPK1TSHRCES1KCNN4ALDH1A1 | |
| Methoxytriphenylmethane SCHEMBL9103 | 0.74 | MAPK1 (0.48) | MAPK1TSHRCES1KCNN4ALDH1A1 | |
| SCHEMBL1659349 | 0.74 | MAPK1 (0.48) | MAPK1TSHRCES1KCNN4ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-59039846-A | — | — | None | — | — | JP | disclosed |
| JP-S5939846-A | PREPARATION OF ANISALDEHYDE | NIPPON TOKUSHU NOYAKU SEIZO KK | 1984-03-05 | — | — | JP | disclosed |