Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL10522221 | 0.88 | HPGD (0.40) | ACHETSHRHPGDLMNA | |
| SCHEMBL10523337 | 0.82 | NPSR1 (0.44) | ACHETSHRESR1ESR2NPSR1 | |
| SCHEMBL10803194 | 0.82 | ESR1 (0.43) | ACHETSHRESR1ESR2NPSR1 | |
| SCHEMBL7900827 | 0.78 | ESR1 (0.46) | ACHETSHRESR1ESR2NPSR1 | |
| SCHEMBL10523275 | 0.77 | TSHR (0.45) | ACHETSHRESR1ALDH1A1HPGD | |
| SCHEMBL30085199 | 0.76 | ESR1 (0.54) | ACHETSHRESR1NPSR1ALDH1A1 | |
| SCHEMBL3787009 | 0.76 | ESR1 (0.54) | ACHETSHRESR1NPSR1ALDH1A1 | |
| SCHEMBL3791529 | 0.75 | ALDH1A1 (0.35) | ESR1ESR2NPSR1ALDH1A1HPGD | |
| SCHEMBL10523410 | 0.75 | ESR1 (0.42) | ACHETSHRESR1ESR2NPSR1 | |
| SCHEMBL7891692 | 0.74 | TSHR (0.47) | ACHETSHRESR1ESR2ALDH1A1 |
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-2010004278-A1 | METHOD FOR INCREASING THE ENANTIOMERIC EXCESS OF CHIRAL PHOSPHINE OXIDES, SULPHIDES, IMIDES AND BORANES | CELTIC CATALYSTS LIMITED (IE) | 2010-01-14 | — | — | WO | claimed |