Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | ACLY | P53396 | 1/20 | 0.43 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL753290 | 0.84 | ALDH1A1 (0.48) | ALDH1A1KMT2ATAAR1IDO1ACLY | |
| SCHEMBL4401170 | 0.80 | ALDH1A1 (0.62) | ALDH1A1KMT2ATAAR1IDO1POLB | |
| SCHEMBL18673914 | 0.80 | GABRA1 (0.37) | ALDH1A1LMNA | |
| SCHEMBL20682262 | 0.80 | PNMT (0.53) | KMT2ATAAR1IDO1CTBP2LMNA | |
| SCHEMBL2650432 | 0.80 | MAOA (0.44) | ALDH1A1LMNA | |
| SCHEMBL20682264 | 0.80 | ALDH1A1 (0.45) | ALDH1A1KMT2ATAAR1IDO1CYP2D6 | |
| SCHEMBL18494064 | 0.79 | NPC1 (0.38) | ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL13722507 | 0.79 | MAOA (0.46) | ALDH1A1LMNA | |
| SCHEMBL3894959 | 0.79 | ALDH1A1 (0.53) | ALDH1A1KMT2ATAAR1IDO1ACLY | |
| SCHEMBL2377394 | 0.79 | ALDH1A1 (0.49) | ALDH1A1KMT2ATAAR1IDO1ACLY |
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-2016035008-A1 | PYRIDOPYRIMIDINE DERIVATIVES AS MEK INHIBITORS | LUPIN LIMITED (IN) | 2016-03-10 | — | — | WO | disclosed |