Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 3/20 | 0.50 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | HTR6 | P50406 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.37 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12479701 | 0.91 | ADRB2 (0.63) | ADRB2HCRTR2MEN1KMT2AHTR6 | |
| SCHEMBL12479868 | 0.80 | HTR2A (0.57) | HCRTR2MEN1KMT2AALDH1A1LMNA | |
| SCHEMBL16612680 | 0.79 | HTR2A (0.58) | HCRTR2MEN1KMT2AHTR6MTNR1A | |
| SCHEMBL2029351 | 0.78 | ADRB2 (0.78) | ADRB2MEN1KMT2AHTR6ALDH1A1 | |
| SCHEMBL12479182 | 0.77 | HTR2A (0.58) | HCRTR2MEN1KMT2AHTR6MTNR1A | |
| SCHEMBL1703175 | 0.74 | MEN1 (0.76) | HCRTR2MEN1KMT2A | |
| SCHEMBL13888163 | 0.73 | ALDH1A1 (0.60) | ADRB2MEN1KMT2AHTR6ALDH1A1 | |
| SCHEMBL10507566 | 0.73 | ADRB2 (0.55) | ADRB2MEN1KMT2AHTR6ALDH1A1 | |
| SCHEMBL25624145 | 0.73 | HTR6 (0.80) | ADRB2HTR6 | |
| SCHEMBL16612770 | 0.73 | ADRB2 (0.44) | ADRB2HCRTR2MEN1KMT2AHTR6 |
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 | disclosed |