Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | MPI | P34949 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL213910 | 0.84 | ALDH1A1 (0.44) | ALDH1A1LMNAMAPK1SMN1; SMN2HSP90AA1 | |
| SCHEMBL213909 | 0.84 | ALDH1A1 (0.44) | ALDH1A1LMNAMAPK1SMN1; SMN2HSP90AA1 | |
| SCHEMBL14164367 | 0.81 | ALDH1A1 (0.40) | ALDH1A1LMNAMAPK1SMN1; SMN2HSP90AA1 | |
| SCHEMBL7542039 | 0.80 | ALDH1A1 (0.47) | ALDH1A1LMNAMAPK1SMN1; SMN2HSP90AA1 | |
| SCHEMBL6153287 | 0.80 | MMP2 (0.41) | ALDH1A1LMNAMAPK1SMN1; SMN2HSP90AA1 | |
| SCHEMBL14164366 | 0.78 | ALDH1A1 (0.42) | ALDH1A1LMNAMAPK1SMN1; SMN2HSP90AA1 | |
| SCHEMBL14164368 | 0.78 | ALDH1A1 (0.42) | ALDH1A1LMNAMAPK1SMN1; SMN2HSP90AA1 | |
| SCHEMBL10957733 | 0.77 | CYP24A1 (0.38) | ALDH1A1LMNAMAPK1SMN1; SMN2TLR9 | |
| SCHEMBL10957739 | 0.77 | CYP24A1 (0.38) | ALDH1A1LMNAMAPK1SMN1; SMN2TLR9 | |
| SCHEMBL10984538 | 0.75 | ALDH1A1 (0.53) | ALDH1A1LMNAMAPK1SMN1; SMN2HSP90AA1 |
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-2008107398-A2 | PYRAZINE COMPOUNDS | BASF SE (DE) | 2008-09-12 | — | — | WO | disclosed |