Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15087294 | 1.00 | ALDH1A1 (0.43) | ALDH1A1TSHRCYP3A4ESR1ESR2 | |
| SCHEMBL15087336 | 0.94 | ALDH1A1 (0.38) | ALDH1A1TSHRCYP3A4ESR1ESR2 | |
| SCHEMBL15087293 | 0.94 | ALDH1A1 (0.38) | ALDH1A1TSHRCYP3A4ESR1ESR2 | |
| SCHEMBL3337526 | 0.85 | ALDH1A1 (0.54) | ALDH1A1TSHRCYP3A4ESR1ESR2 | |
| SCHEMBL15087284 | 0.85 | CYP3A4 (0.33) | ALDH1A1TSHRCYP3A4ESR1ESR2 | |
| SCHEMBL15087288 | 0.85 | CNR1 (0.40) | ALDH1A1TSHRCYP3A4ESR1ESR2 | |
| SCHEMBL1177035 | 0.85 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP3A4L3MBTL1KDM4E | |
| SCHEMBL99027 | 0.85 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP3A4L3MBTL1KDM4E | |
| SCHEMBL13049481 | 0.85 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP3A4ESR1ESR2 | |
| SCHEMBL12114947 | 0.85 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP3A4L3MBTL1KDM4E |
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 |