Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | HBB | P68871 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27997437 | 0.84 | TDP1 (0.46) | TDP1ALDH1A1CASP1CASP7CYP4F2 | |
| SCHEMBL647376 | 0.83 | IDO1 (0.45) | IDO1TDP1ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL2313052 | 0.80 | TDP1 (0.42) | TDP1ALDH1A1CYP3A4HSD17B10ALOX15 | |
| SCHEMBL3840320 | 0.77 | IDO1 (0.50) | IDO1POLBHPGDKEAP1CYP1A2 | |
| SCHEMBL16932994 | 0.77 | ALDH1A1 (0.37) | TDP1ALDH1A1HSD17B10ALOX15CASP7 | |
| SCHEMBL28839334 | 0.76 | ALDH1A1 (0.35) | IDO1TDP1ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL11843814 | 0.76 | IDO1 (0.42) | IDO1TDP1ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL8035450 | 0.75 | TDP1 (0.38) | TDP1CYP4F2CYP4A11CYP1A2 | |
| SCHEMBL8023707 | 0.75 | TDP1 (0.38) | TDP1CYP4F2CYP4A11CYP1A2 | |
| SCHEMBL29265971 | 0.75 | PTK2 (0.42) | ALDH1A1HSD17B10ALOX15CASP7HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1971595-B1 | CETP INHIBITORS | MERCK SHARP & DOHME (US) | 2013-10-16 | — | — | EP | disclosed |