Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.51 |
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.49 |
| ▸ | CASP1 | P29466 | 3/20 | 0.49 |
| ▸ | CASP7 | P55210 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.49 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17871835 | 0.95 | TSHR (0.51) | ALDH1A1KDM4ETSHRALOX15CASP1 | |
| SCHEMBL30164060 | 0.85 | ADRB1 (0.50) | ALDH1A1KDM4ETSHR | |
| SCHEMBL3554062 | 0.78 | DRD4 (0.46) | ALDH1A1KDM4ETSHRL3MBTL1C5AR1 | |
| SCHEMBL15462283 | 0.76 | ALDH1A1 (0.61) | ALDH1A1KDM4ETSHRL3MBTL1MAPT | |
| SCHEMBL3436602 | 0.76 | DRD4 (0.47) | ALDH1A1KDM4EL3MBTL1C5AR1MAPT | |
| SCHEMBL3470934 | 0.75 | ALDH1A1 (0.47) | ALDH1A1KDM4ETSHRALOX15CASP1 | |
| SCHEMBL11922737 | 0.74 | ALDH1A1 (0.65) | ALDH1A1KDM4ETSHRL3MBTL1MAPT | |
| SCHEMBL5793581 | 0.74 | KDM4E (0.50) | ALDH1A1KDM4ETSHRALOX15CASP1 | |
| SCHEMBL16793252 | 0.74 | ALDH1A1 (0.54) | ALDH1A1KDM4ETSHRALOX15CASP1 | |
| SCHEMBL20142715 | 0.74 | ALDH1A1 (0.50) | ALDH1A1KDM4ETSHRALOX15CASP1 |
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 4 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 |
| EP-1960392-A2 | HETEROCYCLE-SUBSTITUTED 3-ALKYL AZETIDINE DERIVATIVES | Merck & Co., Inc. (US) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007064566-A2 | HETEROCYCLE-SUBSTITUTED 3-ALKYL AZETIDINE DERIVATIVES | MERCK & CO., INC. (US) | 2007-06-07 | — | — | WO | disclosed |