Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | MLNR | O43193 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DDR1 | Q08345 | 2/20 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28791288 | 0.83 | DDR1 (0.37) | PDCD1CD274MLNRSLC2A1DDR1 | |
| Tert-Butyl Formate SCHEMBL28072233 | 0.80 | HCRTR1 (0.38) | CHRM3PDCD1CD274MLNRDDR1 | |
| Tert-Butyl Formate SCHEMBL27993846 | 0.79 | CXCR4 (0.48) | CHRM3KDM4EALDH1A1POLBMEN1 | |
| SCHEMBL1741542 | 0.77 | VEGFA (0.52) | TP53LMNACHRM3MAPTKDM4E | |
| Tert-Butyl Formate SCHEMBL27850289 | 0.77 | PDCD1 (0.36) | LMNACHRM3PDCD1CD274MLNR | |
| SCHEMBL28072120 | 0.76 | CHRM3 (0.40) | CHRM3KDM4EALDH1A1PDCD1CD274 | |
| Tert-Butyl Formate SCHEMBL27850889 | 0.74 | HTR7 (0.48) | LMNAKDM4EALDH1A1MLNR | |
| Tert-Butyl Formate SCHEMBL27524789 | 0.72 | SIGMAR1 (0.66) | LMNAALDH1A1TSHRPOLBMEN1 | |
| Tert-Butyl Formate SCHEMBL28831465 | 0.72 | SIGMAR1 (0.45) | CHRM3MEN1KMT2ADDR1 | |
| Tert-Butyl Formate SCHEMBL27958701 | 0.69 | TDP1 (0.45) | LMNACHRM3MAPTALDH1A1HPGD |
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-102307872-B | BCL-2-selectively apoptosis-inducing agents for the treatment of cancer and immune diseases | ABBVIE 公司 | 2016-06-15 | — | — | CN | disclosed |