Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14401863 | 0.84 | TRPA1 (0.45) | TRPA1PTGS1CACNA1CLMNAALDH1A1 | |
| SCHEMBL1964126 | 0.81 | TDP1 (0.42) | LMNAALDH1A1CYP1A2CYP2D6TSHR | |
| SCHEMBL340413 | 0.78 | NR1I2 (0.49) | ALDH1A1NR1I2HTR1AESR1ESR2 | |
| SCHEMBL30918750 | 0.78 | TDP1 (0.49) | LMNATSHRMEN1CYP3A4MAPT | |
| SCHEMBL29196543 | 0.78 | TDP1 (0.49) | LMNATSHRMEN1CYP3A4MAPT | |
| SCHEMBL1031840 | 0.77 | ESR1 (0.55) | PTGS1LMNAALDH1A1NR1I2CYP1A2 | |
| SCHEMBL8165667 | 0.77 | ESR1 (0.55) | PTGS1LMNAALDH1A1NR1I2CYP1A2 | |
| SCHEMBL983969 | 0.77 | ESR1 (0.55) | PTGS1LMNAALDH1A1NR1I2CYP1A2 | |
| SCHEMBL12593949 | 0.77 | ESR1 (0.55) | PTGS1LMNAALDH1A1NR1I2CYP1A2 | |
| SCHEMBL3227588 | 0.77 | ESR1 (0.55) | PTGS1LMNAALDH1A1NR1I2CYP1A2 |
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-2016190871-A1 | 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS | TANSNA THERAPEUTICS, INC. (US) | 2016-12-01 | — | — | WO | disclosed |