Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | FLT3 | P36888 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | CTSA | P10619 | 1/20 | 0.30 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL903695 | 0.84 | ALDH1A1 (0.58) | ELANEALDH1A1NQO2CYP1A1CYP1B1 | |
| SCHEMBL8340815 | 0.81 | ALDH1A1 (0.42) | ALDH1A1NQO2TAAR1CYP1A1CYP1B1 | |
| SCHEMBL3706661 | 0.78 | ALDH1A1 (0.39) | ALDH1A1NQO2TAAR1 | |
| SCHEMBL16951715 | 0.78 | ALDH1A1 (0.39) | ALDH1A1NQO2TAAR1CYP1A1CYP1B1 | |
| SCHEMBL14121329 | 0.78 | ALDH1A1 (0.39) | ALDH1A1NQO2TAAR1 | |
| SCHEMBL17041230 | 0.78 | ALDH1A1 (0.39) | ALDH1A1NQO2TAAR1 | |
| SCHEMBL27745319 | 0.78 | ALDH1A1 (0.39) | ALDH1A1NQO2TAAR1CYP3A4FLT3 | |
| SCHEMBL168353 | 0.77 | ALDH1A1 (0.69) | ALDH1A1NQO2TAAR1CYP1A1CYP1B1 | |
| SCHEMBL28390698 | 0.77 | CES2 (0.39) | — | |
| SCHEMBL186502 | 0.77 | ALDH1A1 (0.59) | ALDH1A1NQO2TAAR1CYP1A1CYP1B1 |
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-2012041014-A1 | TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |