Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.42 |
| ▸ | DYRK2 | Q92630 | 3/20 | 0.42 |
| ▸ | DYRK1B | Q9Y463 | 3/20 | 0.42 |
| ▸ | DYRK3 | O43781 | 2/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.42 |
| ▸ | CDK9 | P50750 | 2/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.42 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.41 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | AXL | P30530 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | UNG | P13051 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31327369 | 0.77 | CDK8 (0.58) | CDK8DYRK1ADYRK2DYRK1BDYRK3 | |
| SCHEMBL2728342 | 0.75 | IDO1 (0.51) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL707146 | 0.75 | NPC1 (0.47) | ALDH1A1KDM4EMEN1NPC1KMT2A | |
| SCHEMBL346974 | 0.73 | TRIM24 (0.64) | CDK8DYRK1ADYRK2DYRK1BDYRK3 | |
| SCHEMBL708223 | 0.73 | TLR4 (0.42) | ALDH1A1MEN1NPC1POLBKMT2A | |
| SCHEMBL27621710 | 0.71 | TRIM24 (0.68) | CDK8DYRK1ADYRK2DYRK1BDYRK3 | |
| SCHEMBL30541407 | 0.70 | PIM2 (0.65) | CDK8DYRK1ADYRK2DYRK1BDYRK3 | |
| SCHEMBL4529365 | 0.70 | DYRK1A (0.45) | CDK8DYRK1ADYRK2DYRK1BDYRK3 | |
| SCHEMBL5727823 | 0.70 | DYRK1A (0.49) | DYRK1AALDH1A1NPC1CYP2A6 | |
| SCHEMBL29569630 | 0.70 | DYRK1A (0.45) | CDK8DYRK1ADYRK2DYRK1BDYRK3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106608859-A | Synthetic method of 1,2,5-thiazolinone-1,1-dioxide and 2,3-dihydro-1,2,5-thiadiazole-1,1-dioxide containing quaternary carbon chiral centers | 中国科学院上海药物研究所 | 2017-05-03 | — | — | CN | disclosed |
| EP-1254133-B9 | INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2005-09-07 | — | — | EP | disclosed |
| EP-1254133-B1 | INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2005-04-20 | — | — | EP | disclosed |
| EP-1254133-A2 | INDOL-3-YL DERIVATIVES | MERCK PATENT GmbH (DE) | 2002-11-06 | — | — | EP | disclosed |
| WO-2001058893-A2 | INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2001-08-16 | — | — | WO | disclosed |