Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.66 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.56 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7278191 | 0.83 | MAPK1 (0.58) | MAPK1MTNR1AMTNR1BKDM4ETP53 | |
| SCHEMBL8874163 | 0.81 | MTNR1A (0.72) | MAPK1MTNR1AMTNR1BHTR2C | |
| SCHEMBL6197461 | 0.79 | MAPK1 (0.50) | MAPK1MTNR1AMTNR1BKDM4ETP53 | |
| SCHEMBL27543856 | 0.72 | MTNR1A (1.00) | MAPK1MTNR1AMTNR1BKDM4ETP53 | |
| SCHEMBL29763644 | 0.72 | HTR2A (0.63) | KDM4EHTR2AHTR2CALDH1A1HSD17B10 | |
| SCHEMBL25798844 | 0.72 | HTR2A (0.63) | KDM4EHTR2AHTR2CALDH1A1HSD17B10 | |
| SCHEMBL12605546 | 0.71 | MAPK1 (0.83) | MAPK1MTNR1AMTNR1BKDM4ETP53 | |
| SCHEMBL11709817 | 0.71 | HTR2A (0.54) | HTR2AHTR2C | |
| SCHEMBL9772277 | 0.68 | MAPK1 (0.56) | MAPK1MTNR1AMTNR1BKDM4ETP53 | |
| SCHEMBL7287143 | 0.68 | MAPK1 (0.56) | MAPK1MTNR1AMTNR1BKDM4ETP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-5292732-A | Pyrrolopyrazine derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-03-08 | — | — | US | disclosed |
| EP-0521368-A1 | Bi- and tetracyclic pyrrolopyrazines | F. HOFFMANN-LA ROCHE AG (CH) | 1993-01-07 | — | — | EP | disclosed |