Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 2/20 | 0.46 |
| ▸ | HPGDS | O60760 | 1/20 | 0.42 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.39 |
| ▸ | RAF1 | P04049 | 1/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.39 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.39 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9986840 | 0.98 | ADRA1A (0.45) | ADRA1AHPGDSMAPK13RAF1MAPK9 | |
| SCHEMBL8439028 | 0.89 | ADRA1A (0.49) | ADRA1AHPGDSADRA2AADRA1DADRA1B | |
| SCHEMBL184451 | 0.81 | ADRA1A (0.55) | ADRA1AADRA2AADRA1DADRA1B | |
| SCHEMBL1494449 | 0.81 | — | — | |
| SCHEMBL1299173 | 0.81 | — | — | |
| SCHEMBL7856564 | 0.79 | ADRA1A (0.53) | ADRA1AJAK2JAK1JAK3ADRA2A | |
| SCHEMBL1133528 | 0.79 | ADRA1A (0.53) | ADRA1AJAK2JAK1JAK3ADRA2A | |
| SCHEMBL724530 | 0.79 | ADRA1A (0.53) | ADRA1AJAK2JAK1JAK3ADRA2A | |
| SCHEMBL1299321 | 0.77 | ADRA1A (0.52) | ADRA1AHPGDSMAPK13RAF1MAPK9 | |
| Hydrochloric Acid SCHEMBL11394021 | 0.77 | ADRA1A (0.52) | ADRA1AJAK3ADRA2AADRA1DADRA1B |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2513098-A1 | AMINOPYRIMIDINES AS SYK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-10-24 | — | — | EP | disclosed |
| US-8080566-B1 | Carbazole inhibitors of histamine receptors for the treatment of disease | KALYPSYS, INC (US) | 2011-12-20 | — | — | US | disclosed |
| US-8080566-B1 | Carbazole inhibitors of histamine receptors for the treatment of disease | KALYPSYS, INC (US) | 2011-12-20 | — | — | US | disclosed |
| WO-2011075515-A1 | AMINOPYRIMIDINES AS SYK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-06-23 | — | — | WO | disclosed |
| EP-1732896-A1 | SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) | Aventis Pharmaceuticals Inc. (US) | 2006-12-20 | — | — | EP | disclosed |
| WO-2005097750-A1 | SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) | AVENTIS PHARMACEUTICALS INC. (US) | 2005-10-20 | — | — | WO | disclosed |
| US-4605744-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1986-08-12 | — | — | US | disclosed |
| US-4537969-A | AZOLE-SUBSTITUTED SATURATED HETEROCYCLIC CARBOXALDEHYDE ACETALS;INTERMEDIATES FOR 6-AMIDINOPENICILLINS | HOFFMANN-LA ROCHE INC. (US) | 1985-08-27 | — | — | US | disclosed |
| EP-0148283-A1 | Novel penicillanic acid derivatives | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1985-07-17 | — | — | EP | disclosed |
| US-4431653-A | ANTIBIOTICS; BACTERICIDES; SSYNERGISTIC WITH AMINO ACID DERIVATIVE | HOFFMANN-LA ROCHE INC. (US) | 1984-02-14 | — | — | US | disclosed |