Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 2/20 | 0.34 |
| ▸ | CASP7 | P55210 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL16718960 | 0.87 | IDO1 (0.39) | ALDH1A1KDM4ELMNATSHRTP53 | |
| SCHEMBL16718984 | 0.83 | GAA (0.44) | KDM4ELMNATRPA1CYP11B2GAA | |
| SCHEMBL18128803 | 0.83 | GAA (0.44) | KDM4ELMNATRPA1CYP11B2GAA | |
| SCHEMBL18128802 | 0.82 | TRPA1 (0.38) | ALDH1A1KDM4ELMNATP53MAPT | |
| SCHEMBL16731030 | 0.82 | TRPA1 (0.38) | ALDH1A1KDM4ELMNATP53MAPT | |
| SCHEMBL16731956 | 0.82 | LMNA (0.36) | KDM4ELMNATSHRTP53MAPT | |
| SCHEMBL18128806 | 0.82 | LMNA (0.36) | KDM4ELMNATSHRTP53MAPT | |
| SCHEMBL16719035 | 0.81 | ALDH1A1 (0.39) | ALDH1A1KDM4ELMNATSHRTRPA1 | |
| SCHEMBL16720941 | 0.79 | ALDH1A1 (0.42) | ALDH1A1LMNAMAPTTRPA1CASP3 | |
| SCHEMBL16719057 | 0.78 | CYP11B2 (0.41) | TRPA1CYP11B2CYP3A4CYP2D6IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9975888-B2 | Aryl linked imidazole and triazole derivatives and methods of use thereof for improving the pharmacokinetics of a drug | MERCK SHARP & DOHME CORP. (US) | 2018-05-22 | — | — | US | disclosed |