Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 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 | |
|---|---|---|---|---|
| SCHEMBL8563251 | 0.93 | ESR1 (0.39) | ESR1ESR2TMEM97SIGMAR1HDAC6 | |
| SCHEMBL8559448 | 0.85 | ESR1 (0.39) | ESR1ESR2TMEM97SIGMAR1HDAC6 | |
| Hydrochloric Acid SCHEMBL8558844 | 0.84 | HTR6 (0.35) | TMEM97SIGMAR1HDAC6HTR2CHRH1 | |
| SCHEMBL8558363 | 0.83 | ESR1 (0.38) | ESR1ESR2TMEM97SIGMAR1HDAC6 | |
| SCHEMBL8568710 | 0.82 | F10 (0.39) | ESR1ESR2 | |
| SCHEMBL8568715 | 0.82 | F10 (0.39) | ESR1ESR2 | |
| SCHEMBL8559780 | 0.82 | FHIT (0.36) | TMEM97SIGMAR1HDAC6CHRM4HTR1A | |
| SCHEMBL8567428 | 0.81 | ESR1 (0.40) | ESR1ESR2HDAC6DRD3TYRO3 | |
| SCHEMBL8567424 | 0.81 | ESR1 (0.40) | ESR1ESR2HDAC6DRD3TYRO3 | |
| SCHEMBL8559207 | 0.81 | MAPT (0.43) | ESR1ESR2SMN1; SMN2 |
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-5827849-A | HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT | KARL THOMAE GMBH (DE) | 1998-10-27 | — | — | US | disclosed |