Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 8/20 | 0.47 |
| ▸ | GHSR | Q92847 | 2/20 | 0.47 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.45 |
| ▸ | RORA | P35398 | 1/20 | 0.45 |
| ▸ | RORC | P51449 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6980011 | 0.83 | BRD4 (0.58) | BRD4ALDH1A1PTPN2PTPN1PTPN5 | |
| SCHEMBL6984820 | 0.80 | HTR6 (0.61) | BRD4ALDH1A1HTR6 | |
| SCHEMBL6976538 | 0.80 | PKM (0.65) | BRD4ALDH1A1HTTPGRHTR6 | |
| SCHEMBL6985547 | 0.78 | HTR6 (0.41) | BRD4HDAC1HTR6 | |
| SCHEMBL4709118 | 0.78 | HTR6 (0.55) | BRD4ALDH1A1HTTPFKFB3TSHR | |
| SCHEMBL10238657 | 0.78 | HTR6 (0.55) | BRD4ALDH1A1HTTPFKFB3TSHR | |
| Hydrochloric Acid SCHEMBL9960412 | 0.77 | HTR6 (0.54) | BRD4ALDH1A1HTTPFKFB3TSHR | |
| Hydrochloric Acid SCHEMBL3156784 | 0.77 | HTR6 (0.54) | BRD4ALDH1A1HTTPFKFB3TSHR | |
| SCHEMBL31681377 | 0.76 | EIF2AK2 (0.54) | BRD4ALDH1A1HTR6GHSR | |
| SCHEMBL6983098 | 0.76 | HCRTR1 (0.43) | ALDH1A1TSHRPGRHTR6GHSR |
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 |