Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.31 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL28624206 | 0.83 | ALDH1A1 (0.85) | ALDH1A1TSHRTDP1TAS1R3TAS1R1 | |
| SCHEMBL8383017 | 0.78 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1TAS1R3TAS1R1 | |
| SCHEMBL16536 | 0.77 | ALDH1A1 (0.62) | ALDH1A1TSHRTDP1KMT2AHPGD | |
| SCHEMBL8966417 | 0.77 | ALDH1A1 (0.55) | ALDH1A1TSHRTDP1TAS1R3TAS1R1 | |
| SCHEMBL28831140 | 0.77 | ALDH1A1 (0.55) | ALDH1A1TSHRTDP1TAS1R3TAS1R1 | |
| SCHEMBL52040 | 0.77 | ALDH1A1 (0.55) | ALDH1A1TSHRTDP1TAS1R3TAS1R1 | |
| SCHEMBL1760727 | 0.77 | ALDH1A1 (0.55) | ALDH1A1TSHRTDP1TAS1R3TAS1R1 | |
| SCHEMBL13617872 | 0.77 | ALDH1A1 (0.62) | ALDH1A1HSD17B10ALDH5A1ABAT | |
| SCHEMBL12579970 | 0.77 | ALDH1A1 (0.55) | ALDH1A1TSHRTDP1TAS1R3TAS1R1 | |
| SCHEMBL28867765 | 0.77 | ALDH1A1 (0.55) | ALDH1A1TSHRTDP1TAS1R3TAS1R1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3296285-A1 | ESTER-BASED COMPOUND, COMPOSITION CONTAINING SAME, METHOD FOR PREPARING SAME, AND RESIN COMPOSITION CONTAINING SAME | LG Chem, Ltd. (KR) | 2018-03-21 | — | — | EP | disclosed |
| WO-2012149644-A1 | NOVEL AGONISTS AND ANTAGONISTS OF THE UROTENSINERGIC SYSTEM | INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) | 2012-11-08 | — | — | WO | disclosed |