Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.59 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CDC25B | P30305 | 1/20 | 0.49 |
| ▸ | CASP6 | P55212 | 1/20 | 0.49 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | GABRP | O00591 | 2/20 | 0.45 |
| ▸ | GABRD | O14764 | 2/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.45 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14533232 | 0.84 | IDO1 (0.59) | IDO1AKR1C3AKR1C2ALDH1A1CDC25B | |
| SCHEMBL10796899 | 0.83 | KAT8 (0.58) | IDO1ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL1685286 | 0.81 | ALDH1A1 (0.52) | IDO1ALDH1A1CDC25BCASP6RCE1 | |
| SCHEMBL648210 | 0.81 | ALDH1A1 (0.72) | IDO1ALDH1A1CDC25BCASP6RCE1 | |
| SCHEMBL5421465 | 0.80 | CYP1A2 (0.61) | AKR1C3AKR1C2ALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL15133540 | 0.78 | IDO1 (0.75) | IDO1ALDH1A1CDC25BCASP6RCE1 | |
| SCHEMBL21699096 | 0.78 | IDO1 (0.65) | IDO1ALDH1A1CDC25BCASP6RCE1 | |
| SCHEMBL30156557 | 0.78 | IDO1 (0.69) | IDO1ALDH1A1CDC25BCASP6RCE1 | |
| SCHEMBL15131699 | 0.78 | IDO1 (0.69) | IDO1ALDH1A1CDC25BCASP6RCE1 | |
| SCHEMBL8960584 | 0.76 | IDO1 (0.67) | IDO1ALDH1A1CDC25BCASP6RCE1 |
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-4673631-A | OF AN AMINO ACID COMPOUND | CANON KABUSHIKI KAISHA (JP) | 1987-06-16 | — | — | US | disclosed |