Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | BCHE | P06276 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8931018 | 0.88 | CES2 (0.39) | MAPTCES2BCHEACHECES1 | |
| SCHEMBL5587085 | 0.84 | CES2 (0.41) | MAPTCES2BCHEACHECES1 | |
| SCHEMBL8849510 | 0.79 | ALDH1A1 (0.42) | MAPTCES2CES1ALDH1A1HPGD | |
| SCHEMBL12954661 | 0.75 | — | — | |
| Chloranil SCHEMBL24049 | 0.67 | CES2 (1.00) | MAPTCES2BCHEACHECES1 | |
| Chloranil SCHEMBL4682884 | 0.67 | CES2 (1.00) | MAPTCES2BCHEACHECES1 | |
| SCHEMBL9627577 | 0.66 | IDO1 (0.60) | MAPTCES2BCHECES1ALDH1A1 | |
| SCHEMBL19051423 | 0.64 | BLM (0.35) | BLMWRN | |
| Chloranil SCHEMBL4624317 | 0.63 | CES2 (0.90) | MAPTCES2BCHEACHECES1 | |
| SCHEMBL21327556 | 0.63 | CES2 (0.90) | MAPTCES2BCHEACHECES1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997019088-A1 | NOVEL NONLINEAR OPTICAL MOLECULES AND POLYMERS INCORPORATING THEM | HOECHST CELANESE CORPORATION (US) | 1997-05-29 | — | — | WO | disclosed |