Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.48 |
| ▸ | ORAI2 | Q96SN7 | 2/20 | 0.48 |
| ▸ | ORAI3 | Q9BRQ5 | 2/20 | 0.48 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL2465840 | 0.81 | TSHR (0.73) | TSHRORAI1ORAI2ORAI3TRPV6 | |
| Chlorobenzene SCHEMBL5486949 | 0.78 | TSHR (0.69) | TSHRORAI1ORAI2ORAI3TRPV6 | |
| Chlorobenzene SCHEMBL27617049 | 0.78 | TSHR (0.69) | TSHRORAI1ORAI2ORAI3TRPV6 | |
| Chlorobenzene SCHEMBL4412582 | 0.78 | TSHR (0.69) | TSHRORAI1ORAI2ORAI3TRPV6 | |
| Benzene SCHEMBL28180746 | 0.78 | CA1 (0.35) | TSHRORAI1ORAI2ORAI3TRPV6 | |
| Chlorobenzene SCHEMBL28269891 | 0.76 | TSHR (0.65) | TSHRORAI1ORAI2ORAI3TRPV6 | |
| Chlorobenzene SCHEMBL11055239 | 0.76 | TSHR (0.65) | TSHRORAI1ORAI2ORAI3TRPV6 | |
| Toluene SCHEMBL28270002 | 0.75 | TSHR (0.55) | TSHRORAI1ORAI2ORAI3TRPV6 | |
| Chlorobenzene SCHEMBL9063651 | 0.74 | — | — | |
| SCHEMBL24715429 | 0.74 | TSHR (1.00) | TSHRORAI1ORAI2ORAI3TRPV6 |
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-108003293-A | A kind of preparation method of the chain-expanding agent new material of load | 孝感市锐思新材科技有限公司 | 2018-05-08 | — | — | CN | disclosed |