Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TLR2 | O60603 | 1/20 | 0.47 |
| ▸ | ERN1 | O75460 | 1/20 | 0.47 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.47 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3128179 | 0.87 | TLR2 (0.46) | ALDH1A1TP53KDM4EMAPTMAPK1 | |
| SCHEMBL16098438 | 0.83 | BACE1 (0.42) | ALDH1A1TP53KDM4EMAPTMAPK1 | |
| SCHEMBL2479613 | 0.82 | ALDH1A1 (0.52) | ALDH1A1TP53KDM4EMAPTMAPK1 | |
| SCHEMBL8702045 | 0.81 | CYP3A4 (0.50) | ALDH1A1TP53KDM4EMAPTMAPK1 | |
| SCHEMBL2727597 | 0.80 | ERN1 (0.43) | ALDH1A1KDM4EMAPTHPGDHSD17B10 | |
| SCHEMBL14135236 | 0.80 | TLR2 (0.41) | ALDH1A1KDM4EHPGDHSD17B10CYP3A4 | |
| SCHEMBL8717485 | 0.79 | KDM4E (0.48) | ALDH1A1TP53KDM4EMAPTMAPK1 | |
| SCHEMBL8717482 | 0.79 | KDM4E (0.48) | ALDH1A1TP53KDM4EMAPTMAPK1 | |
| SCHEMBL17377670 | 0.79 | ERN1 (0.45) | ALDH1A1TP53KDM4EMAPTMAPK1 | |
| SCHEMBL9900164 | 0.79 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPTHPGDHSD17B10 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3325468-A1 | CHK1/2 INHIBITORS FOR USE IN THE TREATMENT OF NEUROBLASTOMAS AND/OR SOFT TISSUE SARCOMAS | Eli Lilly and Company (US) | 2018-05-30 | — | — | EP | disclosed |
| WO-2017015124-A1 | CHK1/2 INHIBITORS FOR USE IN THE TREATMENT OF NEUROBLASTOMAS AND/OR SOFT TISSUE SARCOMAS | ELI LILLY AND COMPANY (US) | 2017-01-26 | — | — | WO | disclosed |
| EP-2398809-A1 | NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | Merck Canada Inc. (CA) | 2011-12-28 | — | — | EP | disclosed |
| EP-2379532-A1 | COMPOUNDS USEFUL FOR INHIBITING CHK1 | Eli Lilly and Company (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010094120-A1 | NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2010-08-26 | — | — | WO | disclosed |
| WO-2010077758-A1 | COMPOUNDS USEFUL FOR INHIBITING CHK1 | ELI LILLY AND COMPANY (US) | 2010-07-08 | — | — | WO | disclosed |
| EP-1711490-A4 | NOVEL P-GLYCOPROTEIN INHIBITOR, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | HANMI PHARM IND CO LTD (KR) | 2007-04-04 | — | — | EP | disclosed |
| EP-1711490-A1 | NOVEL P-GLYCOPROTEIN INHIBITOR, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | Hanmi Pharm. Co., Ltd. (KR) | 2006-10-18 | — | — | EP | disclosed |
| EP-1651631-A1 | BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE | GENELABS TECHNOLOGIES, INC. (US) | 2006-05-03 | — | — | EP | disclosed |
| WO-2005033101-A1 | NOVEL P-GLYCOPROTEIN INHIBITOR, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | HANMI PHARM. CO., LTD. (KR) | 2005-04-14 | — | — | WO | disclosed |
| WO-2005012288-A1 | BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE | GENELABS TECHNOLOGIES, INC (US) | 2005-02-10 | — | — | WO | disclosed |