Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 2/20 | 0.61 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.60 |
| ▸ | CTSL | P07711 | 2/20 | 0.56 |
| ▸ | CTSS | P25774 | 1/20 | 0.56 |
| ▸ | CTSK | P43235 | 1/20 | 0.56 |
| ▸ | ITGB2 | P05107 | 3/20 | 0.54 |
| ▸ | ICAM1 | P05362 | 3/20 | 0.54 |
| ▸ | ITGAL | P20701 | 3/20 | 0.54 |
| ▸ | TACR1 | P25103 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.51 |
| ▸ | FPR2 | P25090 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3018301 | 1.00 | ACE (0.61) | ACESCN9ACTSLCTSSCTSK | |
| SCHEMBL8502045 | 0.92 | SCN9A (0.68) | ACESCN9ACTSLCTSSCTSK | |
| SCHEMBL8502043 | 0.92 | SCN9A (0.68) | ACESCN9ACTSLCTSSCTSK | |
| SCHEMBL17961907 | 0.91 | TACR1 (0.59) | ACESCN9ACTSLCTSSCTSK | |
| SCHEMBL17961906 | 0.91 | TACR1 (0.59) | ACESCN9ACTSLCTSSCTSK | |
| SCHEMBL8208133 | 0.88 | MAPT (0.63) | ACESCN9ACTSLCTSSCTSK | |
| SCHEMBL4108869 | 0.88 | ACE (0.62) | ACESCN9ACTSLCTSSCTSK | |
| SCHEMBL21292790 | 0.88 | ACE (0.62) | ACESCN9ACTSLCTSSCTSK | |
| SCHEMBL4112957 | 0.88 | ACE (0.62) | ACESCN9ACTSLCTSSCTSK | |
| SCHEMBL29804225 | 0.88 | ACE (0.62) | ACESCN9ACTSLCTSSCTSK |
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-2178537-A1 | BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009011836-A1 | BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS | MERCK & CO., INC. (US) | 2009-01-22 | — | — | WO | disclosed |
| US-5721250-A | ADMINISTERING TO TREAT PHYSIOLOGICAL AND MEDICAL CONDITIONS CHARACTERIZED BY A DEFICIENCY IN GROWTH HORMONE SECRETION: SHORT STATURE | MERCK & CO. INC. (US) | 1998-02-24 | — | — | US | disclosed |
| EP-0167919-B1 | BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1993-05-05 | — | — | EP | disclosed |
| US-5004741-A | Cholecystokinin(CCK); Treating Disorders Of The Gastrointestinal Tract, Central Nervous System And Of The Appetite Of Animals | MERCK & CO., INC. (US) | 1991-04-02 | — | — | US | disclosed |
| US-4820834-A | Benzodiazepine analogs | MERCK & CO., INC. (US) | 1989-04-11 | — | — | US | disclosed |
| EP-0284256-A1 | Benzodiazepine analogs | MERCK & CO. INC. (US) | 1988-09-28 | — | — | EP | disclosed |
| EP-0167919-A2 | Benzodiazepine derivatives and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1986-01-15 | — | — | EP | disclosed |
| US-4224199-A | ANTIDIABETIC | MEYERS CHESTER A | 1980-09-23 | — | — | US | disclosed |