Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.43 |
| ▸ | ME2 | P23368 | 1/20 | 0.40 |
| ▸ | ME1 | P48163 | 1/20 | 0.40 |
| ▸ | ME3 | Q16798 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7794070 | 0.97 | HRH3 (0.42) | HRH3ME2ME1ME3DPP4 | |
| SCHEMBL7790074 | 0.96 | ME2 (0.42) | HRH3ME2ME1ME3DPP4 | |
| SCHEMBL7790521 | 0.95 | HRH3 (0.41) | HRH3ME2ME1ME3CYP2D6 | |
| SCHEMBL7794692 | 0.95 | HRH3 (0.41) | HRH3ME2ME1ME3CYP2D6 | |
| SCHEMBL7793342 | 0.95 | HRH3 (0.41) | HRH3ME2ME1ME3CYP2D6 | |
| SCHEMBL7793348 | 0.94 | HRH3 (0.44) | HRH3ME2ME1ME3CYP2D6 | |
| SCHEMBL7794598 | 0.93 | ME2 (0.42) | HRH3ME2ME1ME3DPP4 | |
| SCHEMBL7793369 | 0.92 | LTA4H (0.41) | HRH3ME2ME1ME3CYP2D6 | |
| SCHEMBL7794609 | 0.92 | LTA4H (0.41) | HRH3ME2ME1ME3CYP2D6 | |
| SCHEMBL7790559 | 0.92 | LTA4H (0.41) | HRH3ME2ME1ME3CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1150937-A1 | LIQUID CRYSTALLINE TRIFLUORO-SUBSTITUTED COMPOUNDS | QinetiQ Limited (GB) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000039062-A1 | LIQUID CRYSTALLINE TRIFLUORO-SUBSTITUTED COMPOUNDS | THE SECRETARY OF STATE FOR DEFENCE (GB) | 2000-07-06 | — | — | WO | disclosed |