Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | PTPRZ1 | P23471 | 4/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 5/20 | 0.42 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.41 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.41 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.41 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | FBP1 | P09467 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL5340454 | 0.80 | AR (0.46) | ALDH1A1KDM4ETDP1TSHRTRPV1 | |
| SCHEMBL10145012 | 0.80 | TRPV1 (0.62) | ALDH1A1KDM4ETDP1PTPRZ1PTPN1 | |
| SCHEMBL2417142 | 0.78 | HAO1 (0.53) | ALDH1A1TSHRKIF11HAO1CES2 | |
| SCHEMBL944341 | 0.78 | FBP1 (0.57) | ALDH1A1TSHRKIF11HAO1CES2 | |
| SCHEMBL24901392 | 0.77 | MLYCD (0.58) | ALDH1A1KDM4ETDP1PTPRZ1PTPN1 | |
| SCHEMBL63468 | 0.76 | ALDH1A1 (0.67) | ALDH1A1TSHRKIF11CES2CES1 | |
| Fluoride SCHEMBL29094698 | 0.76 | HAO1 (0.52) | ALDH1A1TSHRKIF11HAO1CES2 | |
| SCHEMBL7940607 | 0.76 | ALDH1A1 (0.61) | ALDH1A1KDM4ETDP1PTPRZ1PTPN1 | |
| SCHEMBL10978325 | 0.76 | ALDH1A1 (0.61) | ALDH1A1KDM4ETDP1PTPRZ1PTPN1 | |
| SCHEMBL19996403 | 0.76 | CES2 (0.48) | ALDH1A1PTPN1TSHRKIF11HAO1 |
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-218793885-U | Trifluoromethylthio-benzotrifluoride recycling device | 江苏永创医药科技股份有限公司 | 2023-04-07 | — | — | CN | disclosed |
| EP-0962450-B1 | Process for the preparation of perfluoalkylaryl sulfides | BAYER AG (DE) | 2003-01-08 | — | — | EP | disclosed |
| US-6175042-B1 | A CHEMICAL INTERMEDIATE FOR AGROCHEMICALS, PHARMACEUTICALS, DYES, AND POLYMERS | BAYER AKTIENGESELLSCHAFT (DE) | 2001-01-16 | — | — | US | disclosed |
| EP-0962450-A1 | Process for the preparation of perfluoalkylaryl sulfides and perfluoroalkylaryl sulfides per se | Bayer Aktiengesellschaft (DE) | 1999-12-08 | — | — | EP | disclosed |