Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | TDO2 | P48775 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.36 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALPG | P10696 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20495038 | 1.00 | IDO1 (0.43) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL13131486 | 1.00 | IDO1 (0.43) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| Hydrochloric Acid SCHEMBL3809942 | 0.98 | IDO1 (0.45) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| Hydrochloric Acid SCHEMBL13738816 | 0.85 | TYR (0.33) | — | |
| Hydrochloric Acid SCHEMBL2035158 | 0.78 | DRD1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL3388587 | 0.78 | DRD1 (0.32) | — | |
| SCHEMBL18155699 | 0.77 | IDO1 (0.40) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL7193441 | 0.76 | ESR1 (0.42) | IDO1TDO2ALDH1A1LMNA | |
| SCHEMBL540045 | 0.76 | HTR2A (0.39) | ALDH1A1 | |
| SCHEMBL4736322 | 0.76 | ADRB2 (0.50) | IDO1TDO2HDAC4HDAC7HDAC5 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2978425-A2 | FACTOR XIa INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-02-03 | — | — | EP | disclosed |
| EP-2970298-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | Bristol-Myers Squibb Company (US) | 2016-01-20 | — | — | EP | disclosed |
| EP-2935271-A1 | NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 / INHIBITORS | Bristol-Myers Squibb Company (US) | 2015-10-28 | — | — | EP | disclosed |
| WO-2014164467-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-10-09 | — | — | WO | disclosed |
| WO-2014160592-A2 | FACTOR XIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-10-02 | — | — | WO | disclosed |
| WO-2014100533-A1 | NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 δ/ε INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-06-26 | — | — | WO | disclosed |
| WO-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | disclosed |
| EP-1406897-A2 | COMPOUNDS | SmithKline Beecham plc (GB) | 2004-04-14 | — | — | EP | disclosed |
| WO-2003002559-A2 | PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST | SMITHKLINE BEECHAM P.L.C. (GB) | 2003-01-09 | — | — | WO | disclosed |