Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.43 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.43 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | FKBP1A | P62942 | 3/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6981826 | 0.91 | PDK1 (0.52) | CDK1TP53PDK1PDK2PDK3 | |
| SCHEMBL7410530 | 0.87 | TP53 (0.45) | TP53PDK1PDK2PDK3PDK4 | |
| Hydrochloric Acid SCHEMBL6985311 | 0.86 | PDK1 (0.43) | PDK1PDK2PDK3PDK4FKBP1A | |
| SCHEMBL6985351 | 0.84 | ALDH1A1 (0.54) | TP53PDK1PDK2PDK3PDK4 | |
| SCHEMBL6977395 | 0.82 | TP53 (0.46) | TP53HDAC1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL6985246 | 0.82 | TP53 (0.51) | TP53PDK1PDK2PDK3PDK4 | |
| SCHEMBL6987049 | 0.80 | FKBP1A (0.42) | CDK1FKBP1AALDH1A1GAASMN1; SMN2 | |
| SCHEMBL6986538 | 0.80 | TP53 (0.49) | TP53PDK1PDK2PDK3PDK4 | |
| SCHEMBL6979722 | 0.80 | TP53 (0.48) | TP53PDK1PDK2PDK3PDK4 | |
| SCHEMBL6977738 | 0.79 | TP53 (0.51) | TP53HDAC1HDAC8HDAC6ALDH1A1 |
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 |