Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | TSHR | P16473 | 6/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6659743 | 0.89 | TSHR (0.44) | ALDH1A1TSHRFAAHTHRBHCAR2 | |
| SCHEMBL1521111 | 0.85 | TSHR (0.53) | ALDH1A1TSHRHPGDATMTHRB | |
| SCHEMBL29069522 | 0.83 | TSHR (0.52) | ALDH1A1TSHRHPGDATMTHRB | |
| SCHEMBL25388649 | 0.82 | TSHR (0.51) | ALDH1A1TSHRHPGDATMTHRB | |
| Acetic Acid Butyl Ester SCHEMBL6707821 | 0.82 | ALDH1A1 (0.90) | ALDH1A1TSHRHPGDATMFAAH | |
| SCHEMBL28872505 | 0.81 | TSHR (0.68) | ALDH1A1TSHRHPGDATMTHRB | |
| SCHEMBL2258666 | 0.80 | ALDH1A1 (0.54) | ALDH1A1TSHRFAAHTHRBLMNA | |
| SCHEMBL375032 | 0.80 | TSHR (0.57) | ALDH1A1TSHRHPGDATMTHRB | |
| SCHEMBL1975150 | 0.79 | TSHR (0.56) | ALDH1A1TSHRHPGDATMTHRB | |
| SCHEMBL7617971 | 0.79 | TSHR (0.48) | ALDH1A1TSHRHPGDATMTHRB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101768125-A | Triazole compound and preparation method thereof | UNIV ZHEJIANG | 2010-07-07 | — | — | CN | disclosed |
| EP-1123915-B1 | Process for producing alpha, beta-unsaturated carboxylic acid esters and catalyst for use in such process | NIPPON CATALYTIC CHEM IND (JP) | 2004-07-28 | — | — | EP | disclosed |
| US-6541656-B2 | Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound | NIPPON SHOKUBAI COMPANY, LTD. (JP) | 2003-04-01 | — | — | US | disclosed |
| US-20010034300-A1 | Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound | NIPPON SHOKUBAI COMPANY LTD. (JP) | 2001-10-25 | — | — | US | disclosed |