Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 7/20 | 0.43 |
| ▸ | ESR1 | P03372 | 6/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 3/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ALPL | P05186 | 1/20 | 0.31 |
| ▸ | ALPI | P09923 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28618652 | 0.85 | ESR2 (0.46) | ESR2ESR1KMT2AMEN1ALDH1A1 | |
| SCHEMBL27938929 | 0.79 | CTSB (0.40) | ESR2ESR1KMT2AMEN1ALDH1A1 | |
| SCHEMBL27938930 | 0.79 | CTSB (0.38) | ESR2ESR1KMT2AMEN1ALDH1A1 | |
| SCHEMBL27919782 | 0.72 | ALDH1A1 (0.40) | ESR2ESR1ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL30366045 | 0.72 | ESR2 (0.67) | ESR2ESR1KMT2AMEN1ALDH1A1 | |
| SCHEMBL28606112 | 0.72 | CTSB (0.50) | ESR2ESR1KMT2AMEN1ALDH1A1 | |
| SCHEMBL28978058 | 0.72 | CTSB (0.44) | ESR2ESR1KMT2AMEN1ALDH1A1 | |
| SCHEMBL4621667 | 0.71 | CTSB (0.35) | ESR2ESR1CTSBCTSLCTSS | |
| SCHEMBL31435832 | 0.70 | TACR1 (0.40) | ALDH1A1CTSBCTSLCTSSNR3C1 | |
| SCHEMBL28855812 | 0.68 | ESR1 (0.44) | ESR2ESR1KMT2AALDH1A1CTSB |
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-110845364-B | Preparation method of nitrile compound with formamide as cyanogen source | 湘潭大学 | 2023-02-03 | — | — | CN | disclosed |