Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT2 | Q96PD7 | 16/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28309854 | 0.81 | ALDH1A1 (0.52) | DGAT2ALDH1A1KDM4ERORC | |
| SCHEMBL20180267 | 0.77 | DGAT2 (0.51) | DGAT2ALDH1A1RORC | |
| SCHEMBL20166496 | 0.77 | DGAT2 (0.70) | DGAT2 | |
| SCHEMBL20180470 | 0.69 | DGAT2 (1.00) | DGAT2 | |
| SCHEMBL20180282 | 0.69 | DGAT2 (0.73) | DGAT2 | |
| SCHEMBL5896326 | 0.69 | ALDH1A1 (0.46) | ALDH1A1 | |
| SCHEMBL26122642 | 0.68 | ALDH1A1 (0.57) | ALDH1A1KDM4E | |
| SCHEMBL31632773 | 0.67 | SCN9A (0.44) | ALDH1A1KDM4E | |
| SCHEMBL3716522 | 0.67 | ALDH1A1 (1.00) | ALDH1A1KDM4E | |
| SCHEMBL12810492 | 0.66 | HTR6 (0.52) | KDM4E |
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-2018093698-A1 | INDOLE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 | MERCK SHARP & DOHME CORP. (US) | 2018-05-24 | — | — | WO | disclosed |