Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | AVPR2 | P30518 | 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 | |
|---|---|---|---|---|
| SCHEMBL6980895 | 0.91 | PDK1 (0.40) | PDK1PDK2PDK3PDK4MAPT | |
| SCHEMBL6984846 | 0.90 | USP2 (0.38) | PDK1PDK2PDK3PDK4MAPT | |
| SCHEMBL7960545 | 0.84 | F2 (0.44) | PDK1PDK2PDK3PDK4MAPT | |
| SCHEMBL6984189 | 0.83 | F2 (0.39) | PDK1PDK2PDK3PDK4MAPT | |
| SCHEMBL6984052 | 0.81 | ADRB2 (0.48) | MAPTTP53SMN1; SMN2ADRB2ADRB1 | |
| SCHEMBL6979175 | 0.80 | USP2 (0.39) | PDK1PDK2PDK3PDK4TSHR | |
| SCHEMBL6978636 | 0.79 | PDK1 (0.36) | PDK1PDK2PDK3PDK4MAPT | |
| SCHEMBL6978188 | 0.74 | LMNA (0.54) | MAPTTP53SMN1; SMN2ADRB2ADRB1 | |
| Hydrochloric Acid SCHEMBL6977886 | 0.72 | F2 (0.51) | PDK1PDK2PDK3PDK4NOTUM | |
| SCHEMBL6984844 | 0.72 | USP2 (0.39) | PDK1PDK2PDK3PDK4MAPT |
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 |