Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.37 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.37 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.37 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL11794954 | 0.84 | HSPB1 (0.42) | SLC6A4HAO1HSPB1 | |
| SCHEMBL923176 | 0.83 | ERBB2 (0.53) | ERBB2HTR2ASLC6A4 | |
| SCHEMBL25532058 | 0.82 | HSPB1 (0.37) | ERBB2HSPB1 | |
| SCHEMBL25532070 | 0.82 | HSPB1 (0.37) | ERBB2HTR2ASLC6A4HSPB1 | |
| SCHEMBL432736 | 0.82 | SMN1; SMN2 (0.52) | — | |
| SCHEMBL25532060 | 0.80 | L3MBTL1 (0.36) | HTR2ASLC6A4HAO1HSPB1 | |
| SCHEMBL25532048 | 0.80 | MAPT (0.36) | HTR2ASLC6A4CYP1A2TSHRHSPB1 | |
| SCHEMBL11311431 | 0.79 | NTRK1 (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19LTA4H | |
| SCHEMBL11792502 | 0.79 | HSPB1 (0.54) | HTR2ASLC6A4HSPB1 | |
| SCHEMBL25532053 | 0.79 | KDM4E (0.38) | ERBB2HSPB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-3939278-A | Phenoxyphenyl-acetylenes and thio analogues thereof as antithrombotic agents | ELI LILLY AND COMPANY (US) | 1976-02-17 | — | — | US | disclosed |