Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.48 |
| ▸ | HTR1B | P28222 | 2/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.45 |
| ▸ | HTR1A | P08908 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | HTR2B | P41595 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3018303 | 0.83 | MTNR1A (0.47) | SCN9AHTR1BMTNR1AMTNR1BHTR2A | |
| SCHEMBL5263791 | 0.82 | SCN9A (0.64) | SCN9AHTR1BMTNR1AMTNR1BHTR2A | |
| SCHEMBL3853949 | 0.82 | SCN9A (0.64) | SCN9AHTR1BMTNR1AMTNR1BHTR2A | |
| SCHEMBL14116366 | 0.82 | SCN9A (0.64) | SCN9AHTR1BMTNR1AMTNR1BHTR2A | |
| SCHEMBL27659895 | 0.81 | MTNR1A (0.54) | SCN9AHTR1BMTNR1AMTNR1BHTR2A | |
| SCHEMBL1197489 | 0.81 | MTNR1A (0.54) | SCN9AHTR1BMTNR1AMTNR1BHTR2A | |
| SCHEMBL14066849 | 0.81 | MTNR1A (0.54) | SCN9AHTR1BMTNR1AMTNR1BHTR2A | |
| SCHEMBL7091653 | 0.81 | KMT2A (0.60) | SCN9AHTR1BHTR2AHTR1AKMT2A | |
| Hydrochloric Acid SCHEMBL28558220 | 0.80 | MTNR1A (0.53) | SCN9AHTR1BMTNR1AMTNR1BHTR2A | |
| Hydrochloric Acid SCHEMBL28173761 | 0.80 | MTNR1A (0.53) | SCN9AHTR1BMTNR1AMTNR1BHTR2A |
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 2 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 |