Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.33 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 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 | |
|---|---|---|---|---|
| SCHEMBL17844741 | 0.83 | MAPT (0.39) | MAPTALDH1A1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL27720282 | 0.80 | MAPT (0.39) | MAPTALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27741031 | 0.80 | MAPT (0.39) | MAPTALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17846143 | 0.73 | MAPT (0.39) | MAPTALDH1A1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL17844773 | 0.73 | MEN1 (0.40) | MAPTALDH1A1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL19348965 | 0.73 | MEN1 (0.40) | MAPTALDH1A1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL17844757 | 0.72 | HTR2C (0.34) | MAPTALDH1A1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL20204243 | 0.72 | HTR2C (0.34) | MAPTALDH1A1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL28793493 | 0.70 | MDM2 (0.37) | MAPTALDH1A1SLC6A2SLC6A3POLB | |
| SCHEMBL27952278 | 0.69 | LMNA (0.40) | ALDH1A1SLC6A3POLBHTT |
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-2016095088-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |