Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | WDR5 | P61964 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7408050 | 0.92 | TP53 (0.40) | CCKBRPKMTP53NR3C1MAPT | |
| SCHEMBL6985322 | 0.91 | GAA (0.41) | PKMTP53NR3C1MAPTLMNA | |
| SCHEMBL6984039 | 0.90 | TP53 (0.45) | CCKBRPKMTP53NR3C1MAPT | |
| SCHEMBL7411038 | 0.90 | PKM (0.43) | CCKBRPKMTP53NR3C1MAPT | |
| SCHEMBL6985343 | 0.88 | LMNA (0.51) | PKMNR3C1LMNAMEN1KMT2A | |
| SCHEMBL6982163 | 0.88 | SLC16A3 (0.45) | PKMTP53NR3C1MAPTLMNA | |
| SCHEMBL6984759 | 0.87 | LMNA (0.47) | PKMTP53NR3C1MAPTLMNA | |
| SCHEMBL6982764 | 0.87 | FPR1 (0.43) | PKMNR3C1MAPTLMNAMEN1 | |
| SCHEMBL6985749 | 0.87 | ALDH1A1 (0.48) | PKMTP53NR3C1MAPTLMNA | |
| SCHEMBL6982953 | 0.85 | CCR10 (0.39) | PKMTP53MAPTLMNAHDAC1 |
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 3 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 |
| 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 |