Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 5/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | DCLRE1B | Q9H816 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2528222 | 0.86 | MTNR1A (0.47) | MTNR1AMTNR1BGABRA1GABRG2GABRB3 | |
| SCHEMBL31502416 | 0.82 | MTNR1A (0.46) | MTNR1AMTNR1B | |
| SCHEMBL11777759 | 0.81 | KEAP1 (0.50) | KEAP1MAOBCES2CES1DHODH | |
| SCHEMBL16410342 | 0.81 | MTNR1A (0.47) | MTNR1AMTNR1BKEAP1RORCMAOB | |
| SCHEMBL25972059 | 0.80 | MTNR1A (0.56) | MTNR1AMTNR1BRORCMAOBSMN1; SMN2 | |
| SCHEMBL27708142 | 0.79 | MTNR1A (0.49) | MTNR1AMTNR1BRORCMAOBSMN1; SMN2 | |
| SCHEMBL1654700 | 0.79 | KDM4A (0.42) | KEAP1 | |
| SCHEMBL20681234 | 0.78 | MTNR1A (0.45) | MTNR1AMTNR1BRORCMAOBRIPK1 | |
| SCHEMBL16410276 | 0.78 | MTNR1A (0.50) | MTNR1AMTNR1BKEAP1RORCMAOB | |
| SCHEMBL29805288 | 0.78 | MTNR1A (0.50) | MTNR1AMTNR1BKEAP1RORCMAOB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007064619-A1 | PYRIMIDINE DERIVATIVES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-07 | — | — | WO | disclosed |