Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.41 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9468377 | 1.00 | PARP1 (0.46) | PARP1SMN1; SMN2ALDH1A1MAPTHDAC8 | |
| SCHEMBL9468379 | 1.00 | PARP1 (0.46) | PARP1SMN1; SMN2ALDH1A1MAPTHDAC8 | |
| SCHEMBL12750212 | 0.98 | PARP1 (0.47) | PARP1SMN1; SMN2ALDH1A1MAPTHDAC8 | |
| SCHEMBL6744132 | 0.87 | L3MBTL1 (0.42) | PARP1SMN1; SMN2ALDH1A1MAPTMEN1 | |
| Potassium Ion SCHEMBL1473629 | 0.83 | PARP1 (0.45) | PARP1SMN1; SMN2ALDH1A1MAPTHDAC8 | |
| Potassium Ion SCHEMBL9468373 | 0.83 | PARP1 (0.45) | PARP1SMN1; SMN2ALDH1A1MAPTHDAC8 | |
| Potassium Ion SCHEMBL1473627 | 0.83 | PARP1 (0.45) | PARP1SMN1; SMN2ALDH1A1MAPTHDAC8 | |
| SCHEMBL21457347 | 0.82 | HDAC8 (0.45) | PARP1SMN1; SMN2ALDH1A1MAPTHDAC8 | |
| SCHEMBL9468123 | 0.81 | ALDH1A1 (0.45) | SMN1; SMN2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL9468126 | 0.81 | ALDH1A1 (0.45) | SMN1; SMN2ALDH1A1MAPTMEN1KMT2A |
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-5206392-A | Reacting arylacetonitriles with glyoxylic acid in presence of base, hydrolyzing, cyclizing | AMERICAN CYANAMID COMPANY (US) | 1993-04-27 | — | — | US | disclosed |