Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5414111 | 0.90 | ALDH1A1 (0.50) | ESR2CYP3A4TDP1TAAR1HSD17B10 | |
| SCHEMBL31601446 | 0.88 | ALDH1A1 (0.52) | ESR2CYP3A4TDP1TAAR1HSD17B10 | |
| SCHEMBL650894 | 0.87 | CYP3A4 (0.61) | CYP3A4TDP1TAAR1HSD17B10ALDH1A1 | |
| SCHEMBL29372308 | 0.87 | CYP3A4 (0.61) | CYP3A4TDP1TAAR1HSD17B10ALDH1A1 | |
| SCHEMBL116465 | 0.87 | CYP3A4 (0.61) | CYP3A4TDP1TAAR1HSD17B10ALDH1A1 | |
| SCHEMBL1919176 | 0.85 | ESR2 (0.59) | ESR2CYP3A4TDP1TAAR1HSD17B10 | |
| Water SCHEMBL25433491 | 0.85 | CYP3A4 (0.58) | CYP3A4TDP1TAAR1HSD17B10ALDH1A1 | |
| SCHEMBL29458681 | 0.85 | CYP3A4 (0.65) | CYP3A4TDP1TAAR1HSD17B10ALDH1A1 | |
| SCHEMBL5459730 | 0.85 | CYP3A4 (0.65) | CYP3A4TDP1TAAR1HSD17B10ALDH1A1 | |
| SCHEMBL30670342 | 0.85 | CYP3A4 (0.65) | CYP3A4TDP1TAAR1HSD17B10ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104884146-A | Method and apparatus for purifying organic material using ionic liquid | KOREA IND TECH INST | 2015-09-02 | — | — | CN | disclosed |