Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.32 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23079061 | 0.75 | PARP1 (0.43) | PARP1KDM4EHPGDSMN1; SMN2TAAR1 | |
| SCHEMBL14736067 | 0.74 | PIN1 (0.44) | PARP1KDM4EHPGDSMN1; SMN2TAAR1 | |
| SCHEMBL9049528 | 0.72 | ESR1 (0.54) | PARP1KDM4EHPGDTAAR1IKBKB | |
| SCHEMBL17143116 | 0.69 | PARP1 (0.40) | PARP1KDM4EHPGDPDPK1CCNC | |
| SCHEMBL9215480 | 0.68 | ALDH1A1 (0.38) | PARP1HPGDIKBKBALDH1A1HTT | |
| SCHEMBL14357561 | 0.67 | KDM4E (0.42) | PARP1KDM4EHPGDALDH1A1 | |
| SCHEMBL3986305 | 0.63 | ADORA2A (0.33) | PDPK1 | |
| SCHEMBL29911406 | 0.63 | KMT2A (0.42) | PARP1KDM4EHPGDSMN1; SMN2CCNC | |
| SCHEMBL216640 | 0.62 | SLC9A1 (0.36) | KDM4EPDPK1LMNAPKM | |
| SCHEMBL11470145 | 0.61 | L3MBTL1 (0.40) | PARP1SMN1; SMN2PDPK1IKBKBL3MBTL1 |
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-2021044016-A1 | METHOD FOR PURIFYING 2-(FLUOROALKYL OR FLUOROALKOXY)-4,5-DICYANOIMIDAZOLES | ARKEMA FRANCE (FR) | 2021-03-11 | — | — | WO | disclosed |