Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KDM5C | P41229 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL671067 | 0.85 | CHRM3 (0.53) | ALDH1A1KMT2AL3MBTL1MEN1MAPT | |
| SCHEMBL27554554 | 0.84 | PRSS1 (0.47) | — | |
| SCHEMBL1200393 | 0.82 | CYP2D6 (0.62) | CYP2C9CYP2D6HIF1AALDH1A1KMT2A | |
| SCHEMBL31572029 | 0.82 | CYP2D6 (0.62) | CYP2C9CYP2D6HIF1AALDH1A1KMT2A | |
| Trifluoroacetic Acid SCHEMBL4397854 | 0.81 | F10 (0.46) | — | |
| SCHEMBL92331 | 0.81 | L3MBTL1 (0.56) | CYP2C9CYP2D6HIF1AALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL6417883 | 0.81 | SLC6A2 (0.44) | CYP2C9KMT2APOLBMEN1MAPT | |
| SCHEMBL28744419 | 0.80 | CYP2D6 (0.73) | CYP2C9CYP2D6HIF1AKMT2AL3MBTL1 | |
| Hydrochloric Acid SCHEMBL4768580 | 0.79 | L3MBTL1 (0.54) | CYP2C9CYP2D6HIF1AALDH1A1KMT2A | |
| Bromide SCHEMBL28426487 | 0.79 | L3MBTL1 (0.54) | CYP2C9CYP2D6HIF1AALDH1A1KMT2A |
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-2012024179-A1 | SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-02-23 | — | — | WO | disclosed |