Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | ESR1 | P03372 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PTPRF | P10586 | 1/20 | 0.42 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10566442 | 0.94 | ESR2 (0.49) | ESR2ALDH1A1ESR1CYP1A2CYP2C19 | |
| SCHEMBL27973289 | 0.81 | CES2 (0.50) | ALDH1A1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL56063 | 0.80 | ESR2 (0.60) | ESR2ALDH1A1ESR1CYP1A2CYP2C19 | |
| SCHEMBL29274272 | 0.79 | CYP1A2 (0.53) | ALDH1A1CYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL27973151 | 0.78 | HSD11B1 (0.50) | ALDH1A1MEN1KMT2ANPC1TP53 | |
| SCHEMBL5050017 | 0.78 | ALDH1A1 (0.45) | ALDH1A1CYP1A2MEN1KMT2ACYP3A4 | |
| SCHEMBL28339214 | 0.76 | CYP1A2 (0.50) | ALDH1A1CYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL28809431 | 0.76 | CYP19A1 (0.47) | ALDH1A1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL28606109 | 0.76 | ESR2 (0.56) | ESR2ALDH1A1ESR1CYP1A2CYP2C19 | |
| SCHEMBL28919558 | 0.76 | ESR2 (0.56) | ESR2ALDH1A1ESR1CYP1A2CYP2C19 |
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-105061257-A | Method for selectively reducing 4-nitrophenylacetonitrile/aldehyde condensation reaction product | UNIV XIHUA | 2015-11-18 | — | — | CN | disclosed |