Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | GAA | P10253 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 3/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14720400 | 0.89 | MEN1 (0.49) | PARP1PARP2KDM4EMEN1KMT2A | |
| SCHEMBL14720366 | 0.89 | MEN1 (0.49) | PARP1PARP2KDM4EMEN1KMT2A | |
| SCHEMBL29746270 | 0.89 | MEN1 (0.49) | PARP1PARP2KDM4EMEN1KMT2A | |
| SCHEMBL6124108 | 0.81 | PARP1 (0.62) | PARP1PARP2KDM4EMEN1KMT2A | |
| SCHEMBL14722038 | 0.78 | PARP1 (0.67) | PARP1PARP2MEN1KMT2AGAA | |
| SCHEMBL28905012 | 0.76 | ESR1 (0.50) | PARP1PARP2KDM4EMEN1KMT2A | |
| SCHEMBL13649836 | 0.74 | KDM1A (0.48) | NPC1ALDH1A1TDP1KDM1AMAOB | |
| SCHEMBL17634248 | 0.70 | PARP1 (0.45) | PARP1PARP2KDM1AMAOB | |
| SCHEMBL30991554 | 0.70 | NOS1 (0.40) | PARP1PARP2KDM4EMEN1KMT2A | |
| SCHEMBL23225430 | 0.69 | PARP1 (0.39) | PARP1PARP2KDM4EMEN1KMT2A |
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-2016028110-A1 | A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2016-02-25 | — | — | WO | disclosed |