Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | MPO | P05164 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | HTR1D | P28221 | 1/20 | 0.45 |
| ▸ | HTR1B | P28222 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL16612788 | 0.84 | MPO (0.56) | KMT2AHTR2AMPOTSHRHTR1A | |
| SCHEMBL12479180 | 0.82 | MTNR1A (0.55) | KMT2AMAPTALDH1A1MEN1NPC1 | |
| SCHEMBL16612679 | 0.82 | HTR2A (0.52) | KMT2AMAPTMEN1GAAHTR2A | |
| SCHEMBL16612934 | 0.80 | HTR2A (0.52) | HTR2AHTR2CHTR7HTR6HTR1A | |
| SCHEMBL16612684 | 0.77 | HTR2A (0.49) | KMT2AALDH1A1MEN1HTR2ALMNA | |
| SCHEMBL16612961 | 0.76 | MTNR1A (0.53) | KMT2AMEN1CYP1A2HTR1DHTR1B | |
| SCHEMBL664283 | 0.70 | MAPT (0.70) | KMT2AMAPTALDH1A1MEN1GAA | |
| SCHEMBL735447 | 0.69 | HTR2A (0.56) | KMT2AMAPTALDH1A1MEN1GAA | |
| SCHEMBL16578609 | 0.69 | RAB9A (0.49) | KMT2AMAPTALDH1A1MEN1GAA | |
| SCHEMBL29053759 | 0.69 | MAPT (0.68) | KMT2AMAPTALDH1A1MEN1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2675801-B1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-04-08 | — | — | EP | claimed |