Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7599607 | 0.87 | NPC1 (0.46) | ALDH1A1MEN1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL7596015 | 0.86 | MMP13 (0.48) | ALDH1A1SMN1; SMN2GAAMEN1KMT2A | |
| SCHEMBL7596021 | 0.85 | HDAC1 (0.45) | ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL6772135 | 0.85 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2GAAMEN1KMT2A | |
| SCHEMBL7599929 | 0.84 | TP53 (0.39) | SMN1; SMN2GAAMEN1KMT2AEPHX2 | |
| SCHEMBL7593148 | 0.84 | PDK2 (0.40) | — | |
| SCHEMBL7594799 | 0.82 | TAS1R3 (0.49) | ALDH1A1GAAMEN1KMT2APKM | |
| SCHEMBL7596505 | 0.82 | POLB (0.41) | ALDH1A1SMN1; SMN2GAAMEN1KMT2A | |
| SCHEMBL7596777 | 0.80 | HTT (0.41) | ALDH1A1SMN1; SMN2GAACYP3A4POLB | |
| SCHEMBL7600206 | 0.79 | PDK2 (0.39) | — |
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 |