Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GRM5 | P41594 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | AGER | Q15109 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.38 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.38 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.38 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL28557317 | 0.95 | TSHR (0.61) | TSHRALDH1A1CYP1A2CES2CES1 | |
| Chlorobenzene SCHEMBL28562804 | 0.93 | TSHR (0.52) | TSHRALDH1A1GRM5CYP1A2AGER | |
| Chlorobenzene SCHEMBL27927405 | 0.82 | TSHR (0.46) | TSHRALDH1A1CYP1A2CES2CES1 | |
| Chlorobenzene SCHEMBL11523531 | 0.82 | SLC18A3 (0.47) | TSHRMEN1KMT2ASLC18A3 | |
| Biphenyl SCHEMBL28053113 | 0.79 | ALDH1A1 (0.50) | TSHRALDH1A1RAB9AMEN1KMT2A | |
| Chlorobenzene SCHEMBL7318139 | 0.78 | TSHR (0.79) | TSHRALDH1A1CYP1A2CES2CES1 | |
| Chlorobenzene SCHEMBL7528039 | 0.77 | TSHR (0.58) | TSHRALDH1A1CYP1A2AGERRAB9A | |
| Phenol SCHEMBL2051656 | 0.77 | CA12 (0.58) | TSHRALDH1A1MEN1KMT2ANPC1 | |
| Chlorobenzene SCHEMBL28829691 | 0.76 | TSHR (0.65) | TSHRALDH1A1CYP1A2CES2CES1 | |
| SCHEMBL24715429 | 0.74 | TSHR (1.00) | TSHRALDH1A1CYP1A2CES2CES1 |
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-108178720-B | Synthetic method of 4-cyclobutyl biphenyl fluorine-containing compound | 山东盛华新材料科技股份有限公司 | 2021-04-13 | — | — | CN | disclosed |