Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MMP13 | P45452 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PRKCG | P05129 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7599929 | 0.91 | TP53 (0.39) | EPHX1SMN1; SMN2GAABCHE | |
| SCHEMBL7596505 | 0.87 | POLB (0.41) | SMN1; SMN2LMNAALDH1A1GAAMAPT | |
| SCHEMBL7599607 | 0.85 | NPC1 (0.46) | HTTLMNAALDH1A1MAPTKDM4E | |
| SCHEMBL7599268 | 0.84 | SMN1; SMN2 (0.46) | HTTSMN1; SMN2LMNAMAPK14MAPT | |
| SCHEMBL7593148 | 0.82 | PDK2 (0.40) | ROCK2ROCK1 | |
| SCHEMBL7596873 | 0.81 | HPGD (0.44) | HTTSMN1; SMN2LMNAALDH1A1GAA | |
| SCHEMBL7600206 | 0.81 | PDK2 (0.39) | LMNA | |
| SCHEMBL6771422 | 0.81 | HTT (0.44) | HTTSMN1; SMN2MMP13ALDH1A1GAA | |
| SCHEMBL7600342 | 0.80 | ALDH1A1 (0.50) | SMN1; SMN2CYP3A4ALDH1A1GAAPOLB | |
| SCHEMBL7596015 | 0.80 | MMP13 (0.48) | HTTSMN1; SMN2MMP13LMNAALDH1A1 |
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-1255736-A2 | SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) | Boehringer Ingelheim Pharma KG (DE) | 2002-11-13 | — | — | EP | disclosed |
| WO-2001047898-A2 | SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-07-05 | — | — | WO | disclosed |