Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14162398 | 0.93 | HTT (0.45) | HPGDALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL14162504 | 0.89 | TP53 (0.53) | HPGDALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL14047581 | 0.71 | ALDH1A1 (0.45) | HPGDALDH1A1MEN1KMT2AHTT | |
| SCHEMBL3049346 | 0.71 | SCD (0.62) | HPGDALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL14162295 | 0.70 | ALDH1A1 (0.46) | HPGDALDH1A1SMN1; SMN2LMNAUSP2 | |
| SCHEMBL14047539 | 0.70 | SCD (0.53) | HPGDALDH1A1KMT2AKDM4ECYP2D6 | |
| SCHEMBL13393741 | 0.67 | SCD (0.49) | ALDH1A1 | |
| SCHEMBL14047595 | 0.67 | SCD (0.56) | HPGDALDH1A1CYP3A4 | |
| SCHEMBL14047531 | 0.67 | SCD (0.41) | HPGDALDH1A1KMT2ACYP3A4CYP2C9 | |
| SCHEMBL13158469 | 0.67 | MAPK14 (0.53) | HPGDALDH1A1SMN1; SMN2MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008074835-A1 | 2-SUBSTITUTED 5-MEMBERED HETEROCYCLES AS SCD INHIBITORS | NOVARTIS AG (CH) | 2008-06-26 | — | — | WO | disclosed |