Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Propylene Glycol SCHEMBL5533372 | 0.86 | TSHR (0.62) | TSHRCA1CA2CA7CA9 | |
| Isopropyl Alcohol SCHEMBL29076646 | 0.84 | TSHR (0.71) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL20582042 | 0.83 | TSHR (0.52) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL4781157 | 0.83 | TSHR (0.52) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL2717727 | 0.83 | TSHR (0.52) | TSHRCA1CA2CA7CA9 | |
| Benzyl Alcohol SCHEMBL29091766 | 0.82 | TSHR (0.58) | TSHRKDM4EPOLBLMNATRPA1 | |
| Propylene Glycol SCHEMBL4110602 | 0.80 | TSHR (0.48) | TSHRCA1CA2CA7CA9 | |
| Propylene Glycol SCHEMBL15618691 | 0.80 | TSHR (0.54) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL1195445 | 0.80 | CA1 (0.50) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL542039 | 0.80 | TSHR (0.48) | TSHRCA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2039899-A | — | — | None | — | — | JP | disclosed |
| JP-H0239899-A | PRODUCTION OF OPTICALLY ACTIVE 1,3-BUTANEDIOL 1-BENZYL ETHER AND DERIVATIVE THEREOF | DAICEL CHEM IND LTD | 1990-02-08 | — | — | JP | disclosed |