Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2164185 | 1.00 | TSHR (0.60) | TSHRCYP2A6ESR1ESR2CYP1A2 | |
| SCHEMBL27646186 | 1.00 | TSHR (0.60) | TSHRCYP2A6ESR1ESR2CYP1A2 | |
| SCHEMBL4319988 | 0.78 | ESR1 (0.62) | TSHRESR1ESR2CYP1A2KDM4E | |
| SCHEMBL7262475 | 0.78 | ESR1 (0.62) | TSHRESR1ESR2CYP1A2KDM4E | |
| SCHEMBL467691 | 0.78 | ESR1 (0.62) | TSHRESR1ESR2CYP1A2KDM4E | |
| SCHEMBL199580 | 0.76 | TSHR (0.60) | TSHRESR1ESR2ALOX5KDM4E | |
| SCHEMBL6908022 | 0.76 | TSHR (0.60) | TSHRESR1ESR2ALOX5KDM4E | |
| SCHEMBL7865922 | 0.76 | TSHR (0.60) | TSHRCYP2A6ESR1ESR2ALOX5 | |
| SCHEMBL8020863 | 0.76 | TSHR (0.60) | TSHRESR1ESR2CYP1A2ALOX15 | |
| SCHEMBL8019231 | 0.76 | TSHR (0.60) | TSHRESR1ESR2ALOX5KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004090124-A2 | SEQUENCES ENCODING S-HYDROXYNITRIL LYASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CYANOHYDRINS | BASF AKTIENGESELLSCHAFT (DE) | 2004-10-21 | — | — | WO | disclosed |