Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11074557 | 0.83 | CYP3A4 (0.45) | IDO1TDO2CYP3A4SLC6A2CYP2D6 | |
| SCHEMBL7145782 | 0.81 | ADRA2C (0.57) | IDO1TDO2CYP3A4SLC6A2CYP2D6 | |
| SCHEMBL11657956 | 0.81 | CYP3A4 (0.44) | IDO1TDO2CYP3A4SLC6A2CYP2D6 | |
| SCHEMBL5225559 | 0.81 | ADRA2C (0.57) | IDO1TDO2CYP3A4SLC6A2CYP2D6 | |
| SCHEMBL6994823 | 0.79 | KIF11 (0.40) | CYP3A4SLC6A2ADRB2HSD17B10ADRA2A | |
| SCHEMBL6993618 | 0.79 | ADRA2A (0.46) | CYP3A4ADRB2HSD17B10ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL5354434 | 0.79 | KDM4E (0.58) | IDO1TDO2CYP3A4SLC6A2CYP2D6 | |
| SCHEMBL6195748 | 0.78 | F2RL1 (0.48) | — | |
| SCHEMBL6997582 | 0.77 | P2RX3 (0.36) | IDO1TDO2CYP3A4SLC6A2CYP2D6 | |
| SCHEMBL7000221 | 0.77 | P2RX3 (0.36) | IDO1TDO2CYP3A4SLC6A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1069132-B1 | Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them | SERVIER LAB (FR) | 2003-10-01 | — | — | EP | disclosed |
| EP-1069132-A1 | Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them | ADIR ET COMPAGNIE (FR) | 2001-01-17 | — | — | EP | disclosed |