Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 4/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5789630 | 0.79 | SLC6A3 (0.50) | AHRSLC6A3IDO1TDO2IDO2 | |
| SCHEMBL7203638 | 0.75 | AHR (0.41) | AHRSLC6A3IDO1TDO2IDO2 | |
| SCHEMBL20459542 | 0.75 | SLC6A3 (0.42) | AHRSLC6A3IDO1TDO2IDO2 | |
| SCHEMBL4458063 | 0.71 | AHR (0.46) | AHRSLC6A3IDO1TDO2IDO2 | |
| SCHEMBL12715529 | 0.70 | AHR (0.50) | AHRSLC6A3IDO1TDO2IDO2 | |
| SCHEMBL6788202 | 0.69 | TSHR (0.45) | SLC6A3IDO1TDO2IDO2TSHR | |
| SCHEMBL9297873 | 0.69 | ALDH1A1 (0.44) | AHRSLC6A3TSHRSLC6A2SLC6A4 | |
| SCHEMBL9297878 | 0.69 | ALDH1A1 (0.44) | AHRSLC6A3TSHRSLC6A2SLC6A4 | |
| SCHEMBL30544178 | 0.69 | ALDH1A1 (0.44) | AHRSLC6A3TSHRSLC6A2SLC6A4 | |
| SCHEMBL9298265 | 0.69 | TSHR (0.45) | SLC6A3IDO1TDO2IDO2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4411912-A | Insecticidal isovaleric acid esters | ZOECON CORPORATION (US) | 1983-10-25 | — | — | US | disclosed |
| US-4243819-A | Substituted amino acids | ZOECON CORPORATION (US) | 1981-01-06 | — | — | US | disclosed |