Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 4/20 | 0.35 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | EP300 | Q09472 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 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 | |
|---|---|---|---|---|
| SCHEMBL6983845 | 0.85 | KCNJ1 (0.45) | TP53FFAR1ALDH1A1MAPTMAPK1 | |
| SCHEMBL6975443 | 0.83 | TP53 (0.54) | TP53ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL7959087 | 0.81 | TP53 (0.48) | TP53ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL6979722 | 0.81 | TP53 (0.48) | TP53ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL6974890 | 0.80 | DPP8 (0.37) | FFAR1ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL6977052 | 0.80 | TP53 (0.39) | TP53ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL6984463 | 0.79 | POLB (0.44) | ALDH1A1 | |
| SCHEMBL6983851 | 0.74 | KCNJ1 (0.39) | FFAR1ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL24347338 | 0.73 | HSD17B3 (0.45) | ALDH1A1 | |
| SCHEMBL6986711 | 0.72 | TSHR (0.45) | TP53FFAR1ALDH1A1NPC1MAPT |
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-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 |