Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14775479 | 0.79 | ALDH1A1 (0.39) | ALDH1A1CES2CES1TSHRFFAR3 | |
| SCHEMBL27261275 | 0.79 | ALDH1A1 (0.39) | ALDH1A1CES2CES1TSHRFFAR3 | |
| SCHEMBL10478960 | 0.75 | TSHR (0.42) | ALDH1A1CES2CES1TSHRFFAR3 | |
| SCHEMBL10478959 | 0.75 | TSHR (0.42) | ALDH1A1CES2CES1TSHRFFAR3 | |
| SCHEMBL9622072 | 0.74 | HCAR2 (0.37) | ALDH1A1CES2CES1TSHRFFAR3 | |
| SCHEMBL3205875 | 0.73 | TSHR (0.38) | ALDH1A1TSHRTDP1 | |
| SCHEMBL28020442 | 0.72 | CES1 (0.40) | ALDH1A1CES2CES1TSHRMAPT | |
| SCHEMBL27446091 | 0.72 | TSHR (0.40) | ALDH1A1CES2CES1TSHRFFAR3 | |
| SCHEMBL27723492 | 0.72 | TSHR (0.42) | ALDH1A1CES2CES1TSHRFFAR3 | |
| SCHEMBL27729598 | 0.69 | TSHR (0.32) | ALDH1A1PTPN1TSHRTDP1LMNA |
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-2002057227-A2 | PROCESS OF ENANTIOMERICALLY ENRICHED FLAVOR AND FRAGRANCE COMPONENTS | RHODIA/CHIREX, INC. (US) | 2002-07-25 | — | — | WO | disclosed |