Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.57 |
| ▸ | DRD4 | P21917 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27860347 | 1.00 | EPHX1 (0.57) | EPHX1DRD4KDM4EDRD2DRD3 | |
| Hydrochloric Acid SCHEMBL6276059 | 0.88 | EPHX1 (0.61) | EPHX1DRD4KDM4EDRD2DRD3 | |
| SCHEMBL27842870 | 0.82 | TACR1 (0.45) | KDM4ENAAA | |
| SCHEMBL27842867 | 0.82 | TACR1 (0.45) | KDM4ENAAA | |
| SCHEMBL28203475 | 0.79 | EPHX2 (0.54) | EPHX1 | |
| SCHEMBL6414021 | 0.79 | EPHX2 (0.50) | EPHX1KDM4EMEN1KMT2ACHRM2 | |
| Hydrochloric Acid SCHEMBL3936839 | 0.78 | NAAA (0.49) | EPHX1KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL17875071 | 0.77 | EPHX1 (0.78) | EPHX1ACHEMEN1KMT2AALDH1A1 | |
| SCHEMBL13720049 | 0.77 | LMNA (0.65) | KDM4EACHEMEN1KMT2AALDH1A1 | |
| SCHEMBL13181087 | 0.77 | HDAC3 (0.67) | EPHX1ACHEMEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102274718-B | Reversed-phase bonded phase stuffing with nitrogenous alicyclic structure, preparation method and application thereof | UNIV LIAONING | 2012-11-14 | — | — | CN | disclosed |
| CN-102274718-A | Reversed-phase bonded phase stuffing with nitrogenous alicyclic structure, preparation method and application thereof | — | 2011-12-14 | — | — | CN | disclosed |