Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PER2 | O15055 | 2/20 | 0.37 |
| ▸ | CRY1 | Q16526 | 2/20 | 0.37 |
| ▸ | CRY2 | Q49AN0 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6635791 | 0.94 | CNR2 (0.40) | PER2CRY1CRY2CNR2S1PR1 | |
| SCHEMBL6634425 | 0.90 | HCRTR2 (0.39) | S1PR1HCRTR2LMNAKDM4EHSD17B10 | |
| SCHEMBL6640169 | 0.87 | F10 (0.38) | CNR2 | |
| SCHEMBL6633284 | 0.84 | ALOX5AP (0.39) | CNR2SCN9AHCRTR2KDM4EHSD17B10 | |
| SCHEMBL6639199 | 0.84 | HCRTR2 (0.39) | CNR2S1PR1HCRTR2LMNAKDM4E | |
| SCHEMBL6633352 | 0.81 | LMNA (0.40) | CNR2S1PR1LMNAKDM4EHSD17B10 | |
| SCHEMBL6636386 | 0.81 | CNR2 (0.41) | CNR2 | |
| SCHEMBL6635786 | 0.78 | MAPT (0.44) | CNR2HSD17B10HTTNPSR1 | |
| SCHEMBL6639700 | 0.78 | IRAK4 (0.44) | LMNAKDM4EALDH1A1NPSR1CXCR3 | |
| SCHEMBL6635194 | 0.78 | F2 (0.39) | CNR2LMNAKDM4EHSD17B10ALDH1A1 |
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-1100795-B1 | DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT | BOEHRINGER INGELHEIM PHARMA (DE) | 2004-06-09 | — | — | EP | disclosed |
| US-6121308-A | INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBONYLMETHYL) -QUINOLINE-8-SULPHONYLAMINO)-INDOLE | BOEHRINGER INGELHEIM KG (DE) | 2000-09-19 | — | — | US | disclosed |