Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 2/20 | 0.37 |
| ▸ | F10 | P00742 | 2/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GPR183 | P32249 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7049389 | 0.85 | ALDH1A1 (0.41) | ALDH1A1SIGMAR1KMT2ANPC1MCHR1 | |
| SCHEMBL7607801 | 0.83 | SIGMAR1 (0.53) | ALDH1A1SIGMAR1KMT2AHSD11B1KDM4E | |
| SCHEMBL7048857 | 0.77 | MTTP (0.47) | SLC6A2SLC6A3 | |
| SCHEMBL7605224 | 0.74 | SIGMAR1 (0.47) | ALDH1A1SIGMAR1HSD11B1KDM4E | |
| SCHEMBL7608423 | 0.74 | SIGMAR1 (0.47) | ALDH1A1SIGMAR1HSD11B1KDM4E | |
| SCHEMBL7612560 | 0.73 | SIGMAR1 (0.46) | ALDH1A1SIGMAR1HSD11B1KDM4E | |
| SCHEMBL7608405 | 0.73 | SIGMAR1 (0.52) | ALDH1A1SIGMAR1KMT2AHSD11B1KDM4E | |
| SCHEMBL7613371 | 0.72 | SIGMAR1 (0.47) | ALDH1A1SIGMAR1KMT2AHSD11B1KDM4E | |
| SCHEMBL6675771 | 0.72 | SIGMAR1 (0.45) | ALDH1A1SIGMAR1HSD11B1SLC6A2SLC6A3 | |
| SCHEMBL7608401 | 0.71 | SIGMAR1 (0.50) | ALDH1A1SIGMAR1KMT2AHSD11B1KDM4E |
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-1259492-A1 | SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS | Boehringer Ingelheim Pharma KG (DE) | 2002-11-27 | — | — | EP | disclosed |
| WO-2001047899-A1 | SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-07-05 | — | — | WO | disclosed |