Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 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 |
| ▸ | TDO2 | P48775 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15661564 | 0.83 | TSHR (0.53) | TSHRCYP1A2LMNACYP2A6GAA | |
| SCHEMBL242095 | 0.82 | ALDH1A1 (0.40) | TSHRLMNACYP2A6ESR1ESR2 | |
| SCHEMBL20829729 | 0.81 | TSHR (0.50) | TSHRCYP1A2LMNACYP2A6GAA | |
| SCHEMBL19979018 | 0.77 | CYP1A2 (0.64) | TSHRCYP1A2LMNACYP2A6GAA | |
| 1,4-Dichlorobenzene SCHEMBL9297848 | 0.75 | TSHR (0.92) | TSHRCYP1A2LMNACYP2A6GAA | |
| SCHEMBL20427762 | 0.74 | CES2 (0.42) | TSHRCYP1A2LMNAKDM4EL3MBTL1 | |
| SCHEMBL31468245 | 0.74 | ALDH1A1 (0.42) | TSHRCYP1A2LMNACYP2A6GAA | |
| SCHEMBL14883330 | 0.72 | ACHE (0.53) | TSHRLMNAKDM4EL3MBTL1CES2 | |
| SCHEMBL24715429 | 0.71 | TSHR (1.00) | TSHRCYP1A2LMNACYP2A6GAA | |
| Chlorobenzene SCHEMBL2168046 | 0.71 | TSHR (1.00) | TSHRCYP1A2LMNACYP2A6GAA |
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-114621279-A | Preparation method for aryl silane dimer compound through aryl silane self-coupling synthesis under photocatalysis | 湖南农业大学 | 2022-06-14 | — | — | CN | disclosed |