Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.52 |
| ▸ | EED | O75530 | 3/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.49 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.49 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | AURKA | O14965 | 2/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | CHUK | O15111 | 1/20 | 0.43 |
| ▸ | CSF1R | P07333 | 1/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.43 |
| ▸ | IRAK4 | Q9NWZ3 | 5/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28238727 | 1.00 | PARP1 (0.52) | PARP1EEDCHRNB2CHRNA4CHRNB4 | |
| SCHEMBL29818185 | 0.84 | TP53 (0.43) | KMT2ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9996739 | 0.84 | TP53 (0.47) | KMT2A | |
| SCHEMBL3330911 | 0.82 | AURKA (0.49) | PARP1AURKARPS6KB1SLC6A2SLC6A4 | |
| SCHEMBL4707109 | 0.82 | TP53 (0.49) | KMT2A | |
| Hydrochloric Acid SCHEMBL28243996 | 0.81 | AURKA (0.48) | PARP1AURKARPS6KB1SLC6A2SLC6A4 | |
| SCHEMBL818681 | 0.81 | EED (0.50) | PARP1EEDCHRNB2CHRNA4CHRNB4 | |
| SCHEMBL2303340 | 0.80 | KDM4E (0.44) | KMT2A | |
| SCHEMBL29373827 | 0.79 | GRIK1 (0.40) | PARP1KMT2ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL30172061 | 0.79 | PARP1 (0.43) | PARP1AURKARPS6KB1IRAK4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3898631-A1 | NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS | F. Hoffmann-La Roche AG (CH) | 2021-10-27 | — | — | EP | claimed |
| WO-2020126953-A1 | NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS | F. HOFFMANN-LA ROCHE AG (CH) | 2020-06-25 | — | — | WO | claimed |
| WO-2011117254-A1 | PIPERIDINE AMIDES AS MODULATORS OF THE GHRELIN RECEPTOR | PROSIDION LIMITED (GB) | 2011-09-29 | — | — | WO | disclosed |
| EP-1399160-A4 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO INC (US) | 2004-08-25 | — | — | EP | disclosed |
| EP-1399160-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | Merck & Co., Inc. (US) | 2004-03-24 | — | — | EP | disclosed |
| WO-2002100352-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO., INC. (US) | 2002-12-19 | — | — | WO | disclosed |