Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21495057 | 1.00 | IDO1 (0.37) | IDO1TDO2HTTHSD11B1CYP2C19 | |
| SCHEMBL5949824 | 0.79 | PARP1 (0.39) | CYP2C19CYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL2559434 | 0.79 | IDO1 (0.38) | IDO1TDO2HTTHSD11B1CYP2C19 | |
| SCHEMBL22445604 | 0.76 | IDO1 (0.40) | IDO1TDO2HTTHSD11B1CYP2C19 | |
| SCHEMBL22445608 | 0.76 | ACP3 (0.39) | IDO1TDO2CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL4053545 | 0.76 | ALDH1A1 (0.30) | CYP2C19CYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL1701143 | 0.76 | GABRA1 (0.46) | ALDH1A1CYP3A4ALOX15CA2CA4 | |
| SCHEMBL20551403 | 0.76 | CES2 (0.40) | IDO1TDO2CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL166430 | 0.76 | CES2 (0.40) | IDO1TDO2CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL38142 | 0.76 | ACP3 (0.39) | IDO1TDO2CYP2C19CYP2C9ALDH1A1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3856737-A1 | HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2021-08-04 | — | — | EP | disclosed |
| WO-2020064792-A1 | HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2020-04-02 | — | — | WO | disclosed |
| EP-2534154-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-12-19 | — | — | EP | disclosed |
| EP-2534152-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-12-19 | — | — | EP | disclosed |
| WO-2012027965-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2012-03-08 | — | — | WO | disclosed |
| WO-2011151434-A1 | NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS | EUROSCREEN S.A. (BE) | 2011-12-08 | — | — | WO | disclosed |
| WO-2011100402-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-18 | — | — | WO | disclosed |
| WO-2011100401-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-18 | — | — | WO | disclosed |
| WO-2011037731-A1 | BORON CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2011-03-31 | — | — | WO | disclosed |
| EP-2285384-A2 | BORON-CONTAINING SMALL MOLECULES | Anacor Pharmaceuticals, Inc. (US) | 2011-02-23 | — | — | EP | disclosed |
| EP-2164331-A1 | BORON-CONTAINING SMALL MOLECULES | Anacor Pharmaceuticals, Inc. (US) | 2010-03-24 | — | — | EP | disclosed |
| WO-2009140309-A2 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2009-11-19 | — | — | WO | disclosed |
| WO-2008157726-A1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2008-12-24 | — | — | WO | disclosed |
| EP-1359913-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2003-11-12 | — | — | EP | disclosed |
| WO-2002064140-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-08-22 | — | — | WO | disclosed |
| EP-0654030-A1 | IMIDAZOLE DERIVATIVES HAVING A II ANTAGONIST ACTIVITY. | LUSO FARMACO INST (IT) | 1995-05-24 | — | — | EP | disclosed |