Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.30 |
| ▸ | HRH2 | P25021 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18963612 | 0.79 | LTA4H (0.38) | ACHEMGLLLTA4HHRH3HRH2 | |
| SCHEMBL10369089 | 0.75 | HRH3 (0.40) | LTA4HHRH3HRH2HRH1MAOB | |
| SCHEMBL6902050 | 0.74 | ACHE (0.39) | ACHEMGLLLTA4HRECQLALDH1A1 | |
| SCHEMBL3543013 | 0.74 | ACHE (0.39) | ACHEMGLLLTA4HRECQLALDH1A1 | |
| SCHEMBL13407651 | 0.74 | ACHE (0.39) | ACHEMGLLLTA4HRECQLALDH1A1 | |
| SCHEMBL23828674 | 0.72 | HRH3 (0.44) | LTA4HHRH3HRH2HRH1MAOB | |
| SCHEMBL772273 | 0.72 | ACHE (0.37) | ACHEMGLLLTA4HRECQLALDH1A1 | |
| SCHEMBL14125682 | 0.72 | ACHE (0.37) | ACHEMGLLLTA4HRECQLALDH1A1 | |
| SCHEMBL772272 | 0.72 | ACHE (0.37) | ACHEMGLLLTA4HRECQLALDH1A1 | |
| SCHEMBL2058182 | 0.72 | MGLL (0.39) | ACHEMGLLLTA4HRECQLALDH1A1 |
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-2751108-B1 | BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION | NOVARTIS AG (CH) | 2016-04-27 | — | — | EP | disclosed |