Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 8/20 | 0.47 |
| ▸ | ESR1 | P03372 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28220871 | 0.84 | HTR7 (0.42) | ALDH1A1TDP1LMNACYP1A2CYP2C19 | |
| SCHEMBL6753538 | 0.84 | CES2 (0.47) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL3628062 | 0.75 | NR1H2 (0.42) | ESR1ALDH1A1TSHRESR2CA12 | |
| SCHEMBL8432650 | 0.75 | BCL9 (0.53) | HSD17B3ESR1ALDH1A1NR1H2LMNA | |
| SCHEMBL6257380 | 0.74 | CES2 (0.50) | ALDH1A1TSHRTDP1CES2CES1 | |
| Ethylene Glycol SCHEMBL10441181 | 0.73 | ALDH1A1 (0.37) | HSD17B3ESR1ALDH1A1TSHRCHRM1 | |
| SCHEMBL6656624 | 0.72 | LTA4H (0.49) | ALDH1A1TDP1LMNAMAPK1CYP2C19 | |
| SCHEMBL22435401 | 0.72 | ESR1 (0.46) | HSD17B3ESR1ALDH1A1TSHRCHRM1 | |
| SCHEMBL11263922 | 0.72 | SMN1; SMN2 (0.43) | HSD17B3ALDH1A1MIFCES2CES1 | |
| SCHEMBL2292825 | 0.72 | BCL9 (0.62) | HSD17B3ESR1ALDH1A1TSHRNR1H2 |
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-1735408-A | Receptor function controlling agent | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2006-02-15 | — | — | CN | disclosed |