Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL15087284 | 0.97 | CYP3A4 (0.33) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23635765 | 0.89 | RELA (0.38) | CYP3A4RELAESR1ESR2ALDH1A1 | |
| SCHEMBL13829339 | 0.86 | RELA (0.40) | RELAESR1ESR2ALDH1A1SMN1; SMN2 | |
| SCHEMBL10165994 | 0.84 | ALDH1A1 (0.41) | CYP3A4RELAALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL15087288 | 0.82 | CNR1 (0.40) | CYP3A4SLC6A2SLC6A4ESR1ESR2 | |
| SCHEMBL15087336 | 0.82 | ALDH1A1 (0.38) | CYP3A4CYP2D6RELAESR1ESR2 | |
| SCHEMBL15087293 | 0.82 | ALDH1A1 (0.38) | CYP3A4CYP2D6RELAESR1ESR2 | |
| SCHEMBL15087322 | 0.82 | TP53 (0.41) | ESR1ESR2 | |
| SCHEMBL14854548 | 0.81 | ALDH1A1 (0.43) | CYP3A4CYP2D6RELAALDH1A1SMN1; SMN2 | |
| SCHEMBL15087337 | 0.81 | ALDH1A1 (0.43) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2797871-B1 | CROSSLINKABLE ARYLAMINE COMPOUNDS | NISSAN CHEMICAL IND LTD (JP) | 2018-05-09 | — | — | EP | disclosed |
| US-20150094437-A1 | CROSSLINKABLE ARYLAMINE COMPOUNDS | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2015-04-02 | — | — | US | disclosed |
| US-20150094437-A1 | CROSSLINKABLE ARYLAMINE COMPOUNDS | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2015-04-02 | — | — | US | disclosed |
| WO-2013098175-A1 | CROSSLINKABLE ARYLAMINE COMPOUNDS | SOLVAY SA (BE) | 2013-07-04 | — | — | WO | disclosed |
| EP-2610240-A1 | Crosslinkable arylamine compounds | SOLVAY SA (BE) | 2013-07-03 | — | — | EP | disclosed |