Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | CASP7 | P55210 | 2/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15518463 | 0.96 | ALDH1A1 (0.51) | ALDH1A1KDM4EL3MBTL1ARNOTUM | |
| SCHEMBL27966123 | 0.95 | ALDH1A1 (0.50) | ALDH1A1KDM4EL3MBTL1ARNOTUM | |
| Hydrochloric Acid SCHEMBL27634037 | 0.83 | ADRB1 (0.61) | ALDH1A1KDM4EADRB1MAPTDRD2 | |
| SCHEMBL30406641 | 0.83 | AR (0.59) | ALDH1A1KDM4EL3MBTL1ARPOLB | |
| SCHEMBL2785503 | 0.82 | DRD4 (0.46) | ALDH1A1KDM4EDRD4DRD2DRD3 | |
| SCHEMBL2783360 | 0.80 | DRD2 (0.54) | ALDH1A1DRD4DRD2DRD3HTR2A | |
| SCHEMBL829177 | 0.79 | AR (0.65) | ALDH1A1KDM4EL3MBTL1ARPOLB | |
| SCHEMBL1878340 | 0.78 | ALDH1A1 (0.69) | ALDH1A1KDM4EL3MBTL1ARNOTUM | |
| SCHEMBL2783971 | 0.78 | CYP1A2 (0.47) | ALDH1A1KDM4ECASP1CASP7MAPT | |
| SCHEMBL7528396 | 0.77 | AR (0.62) | ALDH1A1KDM4EL3MBTL1ARPOLB |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014019186-A1 | ANTIDIABETIC TRICYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2014-02-06 | — | — | WO | disclosed |
| WO-2010071750-A1 | GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2010-06-24 | — | — | WO | disclosed |
| CN-101291912-A | Pyrazole derivatives, compositions containing such compounds and methods of use | MERCK & CO INC (US) | 2008-10-22 | — | — | CN | disclosed |
| EP-1960392-A2 | HETEROCYCLE-SUBSTITUTED 3-ALKYL AZETIDINE DERIVATIVES | Merck & Co., Inc. (US) | 2008-08-27 | — | — | EP | disclosed |
| CN-101238132-A | Spirochroman-4-ones as acetyl-CoA carboxylase (ACC) inhibitors | MERCK & CO INC (US) | 2008-08-06 | — | — | CN | disclosed |
| WO-2007064566-A2 | HETEROCYCLE-SUBSTITUTED 3-ALKYL AZETIDINE DERIVATIVES | MERCK & CO., INC. (US) | 2007-06-07 | — | — | WO | disclosed |
| CN-1964947-A | Pyrazole derivatives, compositions containing the same and methods of use thereof | MERCK & CO INC (US) | 2007-05-16 | — | — | CN | disclosed |