Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 6/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | BDKRB1 | P46663 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL7956718 | 0.90 | F2 (0.39) | P2RX7ROCK2NR3C1RORCPARP1 | |
| SCHEMBL7407618 | 0.89 | ALDH1A1 (0.44) | NR3C1KDM1AMAPTGAA | |
| SCHEMBL6987763 | 0.84 | NR3C1 (0.47) | NR3C1KDM1AMAPTGAA | |
| Hydrochloric Acid SCHEMBL6979622 | 0.82 | F2 (0.39) | NR3C1RORCPARP1 | |
| SCHEMBL7956920 | 0.81 | F2 (0.46) | P2RX7ROCK2NR3C1RORCPARP1 | |
| SCHEMBL6978633 | 0.80 | RORC (0.36) | NR3C1RORCPARP1MAPT | |
| SCHEMBL6985993 | 0.80 | NR3C1 (0.46) | NR3C1KDM1AMAPTGAA | |
| SCHEMBL6980955 | 0.79 | ROCK2 (0.43) | P2RX7ROCK2NR3C1 | |
| SCHEMBL6979149 | 0.79 | PARP1 (0.40) | NR3C1PARP1MAPT | |
| SCHEMBL7958921 | 0.79 | F2 (0.52) | NR3C1MAPTGAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0991624-B1 | PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT | BOEHRINGER INGELHEIM PHARMA (DE) | 2003-11-19 | — | — | EP | disclosed |
| US-6300342-B1 | FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION | BOEHRINGER INGELHEIM PHARM KG (DE) | 2001-10-09 | — | — | US | disclosed |
| EP-0991624-A1 | PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT | Boehringer Ingelheim Pharma KG (DE) | 2000-04-12 | — | — | EP | disclosed |
| WO-1999000371-A1 | PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-01-07 | — | — | WO | disclosed |