Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 4/20 | 0.37 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 7/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 7/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 7/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 7/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 7/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 6/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 5/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 4/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRE | P78334 | 1/20 | 0.33 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.33 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.33 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20719862 | 0.83 | SLC7A5 (0.35) | SLC7A5GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL27460949 | 0.81 | GABRG2 (0.36) | CFTRGABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL27570249 | 0.80 | ALOX15 (0.40) | CFTRSLC7A5GABRA1GABRG2GABRB3 | |
| SCHEMBL7406650 | 0.79 | GABRA1 (0.37) | CFTRGABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL10321681 | 0.75 | HTT (0.37) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL18172756 | 0.73 | GABRG2 (0.43) | SLC7A5GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL12979162 | 0.73 | ALDH1A1 (0.41) | CFTRSLC7A5ALOX15NR1H2LOXL2 | |
| SCHEMBL6977590 | 0.72 | CFTR (0.36) | CFTRSLC7A5GABRA1GABRG2GABRB3 | |
| SCHEMBL7108957 | 0.72 | LOXL2 (0.51) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL14907404 | 0.71 | ALDH1A1 (0.43) | GABRA1GABRG2GABRB3GABRA3GABRA2 |
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-0934064-B1 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2003-03-12 | — | — | EP | disclosed |
| US-5869487-A | HIGH SELECTIVITY FOR THROMBIN; TREATING UNSTABLE ANGINA, MYOCARDIAL INFARCTION, ATRIAL FIBRILLATION, DEEP VEIN THROMBOSIS AND OTHER DISEASES | MERCK & CO., INC. (US) | 1999-02-09 | — | — | US | disclosed |