Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | SCD | O00767 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | OGA | O60502 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL14162295 | 0.74 | ALDH1A1 (0.46) | ALDH1A1HPGDUSP2MC4RLMNA | |
| SCHEMBL3049304 | 0.68 | SCD (0.67) | ALDH1A1HPGDSCDMAPTNPC1 | |
| SCHEMBL14047581 | 0.65 | ALDH1A1 (0.45) | ALDH1A1HPGDUSP2SCDMC4R | |
| SCHEMBL14162398 | 0.64 | HTT (0.45) | ALDH1A1HPGDUSP2MC4RLMNA | |
| SCHEMBL14047539 | 0.63 | SCD (0.53) | ALDH1A1HPGDSCDKDM4E | |
| SCHEMBL14162622 | 0.63 | HPGD (0.50) | ALDH1A1HPGDUSP2LMNAKDM4E | |
| SCHEMBL15937066 | 0.62 | ALDH1A1 (0.54) | ALDH1A1HPGDUSP2MC4RLMNA | |
| SCHEMBL21333330 | 0.62 | FAAH (0.52) | HPGDLMNATSHRMAPTNPC1 | |
| SCHEMBL21333020 | 0.61 | CES1 (0.50) | ALDH1A1HPGDKDM4ETSHRNPC1 | |
| SCHEMBL13541755 | 0.60 | P2RX7 (0.44) | MC4RMAPT |
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 |