Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.34 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.33 |
| ▸ | F2 | P00734 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 2/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6978636 | 0.95 | PDK1 (0.36) | PDK1PDK2PDK3PDK4PARP1 | |
| SCHEMBL6982379 | 0.95 | THRB (0.35) | PDK1PDK2PDK3PDK4PARP1 | |
| SCHEMBL7085095 | 0.92 | ALDH1A1 (0.36) | PDK1PDK2PDK3PDK4PARP1 | |
| SCHEMBL7088164 | 0.90 | THRB (0.36) | PDK1PDK2PDK3PDK4PARP1 | |
| SCHEMBL6979712 | 0.90 | F2 (0.35) | PARP1THRBSRD5A1SRD5A2RORC | |
| SCHEMBL6984290 | 0.87 | F10 (0.35) | PARP1THRBSRD5A1SRD5A2RORC | |
| Hydrochloric Acid SCHEMBL6979622 | 0.86 | F2 (0.39) | PDK1PDK2PDK3PDK4PARP1 | |
| SCHEMBL6984481 | 0.85 | F2 (0.41) | PDK1PDK2PDK3PDK4F2 | |
| SCHEMBL6979175 | 0.85 | USP2 (0.39) | PDK1PDK2PDK3PDK4NR3C1 | |
| SCHEMBL7089638 | 0.84 | PARP1 (0.36) | PDK1PDK2PDK3PDK4PARP1 |
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 |