Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | GCGR | P47871 | 1/20 | 0.36 |
| ▸ | LIPE | Q05469 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.33 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.33 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9060986 | 1.00 | HRH3 (0.38) | HRH3KDM1ARCOR1MAOBGCGR | |
| SCHEMBL9060990 | 1.00 | HRH3 (0.38) | HRH3KDM1ARCOR1MAOBGCGR | |
| SCHEMBL9061004 | 1.00 | HRH3 (0.38) | HRH3KDM1ARCOR1MAOBGCGR | |
| SCHEMBL7903580 | 0.86 | ALDH1A1 (0.36) | MAOBGCGRTSHR | |
| SCHEMBL7903582 | 0.86 | ALDH1A1 (0.36) | MAOBGCGRTSHR | |
| SCHEMBL9512220 | 0.85 | LIPE (0.37) | MAOBLIPE | |
| SCHEMBL9137050 | 0.85 | GRIK1 (0.37) | HRH3KDM1ARCOR1GCGRLIPE | |
| SCHEMBL9513173 | 0.83 | MAOB (0.34) | MAOBLIPE | |
| SCHEMBL9062273 | 0.82 | MAOB (0.35) | MAOBCYP2D6 | |
| SCHEMBL7913745 | 0.82 | ALDH1A1 (0.39) | HRH3MAOBGCGRTSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5536442-A | ELECTROOPTICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-07-16 | — | — | US | disclosed |
| US-5324449-A | Substituted phenyl trifluoromethyl ethers | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-06-28 | — | — | US | disclosed |
| EP-0334911-B1 | SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS | MERCK PATENT GmbH (DE) | 1993-02-10 | — | — | EP | disclosed |