Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL827103 | 0.73 | — | — | |
| SCHEMBL21776792 | 0.70 | ALDH1A1 (0.46) | ALDH1A1KMT2AGAATSHRLMNA | |
| SCHEMBL7499823 | 0.69 | TAAR1 (0.50) | TYRALDH1A1ESR1PDCD1ESR2 | |
| SCHEMBL169730 | 0.69 | TAAR1 (0.50) | TYRALDH1A1ESR1PDCD1ESR2 | |
| SCHEMBL15950911 | 0.68 | ALDH1A1 (0.46) | TYRALDH1A1ESR2TAAR1KMT2A | |
| SCHEMBL17086734 | 0.68 | ALDH1A1 (0.46) | TYRALDH1A1ESR2TAAR1KMT2A | |
| SCHEMBL17086737 | 0.68 | ALDH1A1 (0.46) | TYRALDH1A1ESR2TAAR1KMT2A | |
| SCHEMBL21787942 | 0.68 | TYR (0.42) | TYRALDH1A1ESR1PDCD1ESR2 | |
| SCHEMBL12086848 | 0.68 | KDM4E (0.31) | KMT2AHTTLMNAKDM4E | |
| Hydrogen Peroxide SCHEMBL8846644 | 0.67 | ESR1 (0.55) | TYRALDH1A1ESR1PDCD1ESR2 |
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-2020043821-A1 | FURAN DERIVATIVES AS BROMODOMAIN INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2020-03-05 | — | — | WO | disclosed |