Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.50 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 3/20 | 0.47 |
| ▸ | HRH1 | P35367 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.45 |
| ▸ | DRD3 | P35462 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14210391 | 1.00 | ESR1 (0.50) | ESR1ESR2PDCD1CD274KDM4E | |
| SCHEMBL15596871 | 0.86 | HTR2A (0.58) | KDM4EHTR2AHRH1MEN1KMT2A | |
| SCHEMBL8026394 | 0.86 | HTR2A (0.58) | KDM4EHTR2AHRH1MEN1KMT2A | |
| SCHEMBL12573493 | 0.86 | HTR2A (0.58) | KDM4EHTR2AHRH1MEN1KMT2A | |
| SCHEMBL2889585 | 0.82 | OPRM1 (0.53) | KDM4EHTR2AALDH1A1LMNAADRA1A | |
| SCHEMBL19881826 | 0.82 | OPRM1 (0.53) | KDM4EHTR2AALDH1A1LMNAADRA1A | |
| SCHEMBL19058766 | 0.82 | OPRM1 (0.53) | KDM4EHTR2AALDH1A1LMNAADRA1A | |
| SCHEMBL2566197 | 0.79 | ESR1 (0.56) | ESR1ESR2PDCD1CD274KDM4E | |
| SCHEMBL8031145 | 0.79 | ESR1 (0.80) | ESR1ESR2PDCD1CD274KDM4E | |
| SCHEMBL51204 | 0.79 | ESR1 (0.80) | ESR1ESR2PDCD1CD274KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-7368609-B2 | Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same | CENTRAL GLASS COMPANY, LIMITED (JP) | 2008-05-06 | — | — | US | disclosed |