Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 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 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL8357752 | 0.89 | KDM4E (0.37) | SIGMAR1KDM4ELMNATP53CHRM2 | |
| SCHEMBL1704957 | 0.87 | HTR2A (0.35) | SIGMAR1KDM4ELMNATP53CHRM2 | |
| Bromide SCHEMBL6908313 | 0.85 | HTR2A (0.34) | SIGMAR1KDM4ELMNATP53CHRM2 | |
| Hydrochloric Acid SCHEMBL271905 | 0.85 | HTR2A (0.34) | SIGMAR1KDM4ELMNATP53CHRM2 | |
| Hydrochloric Acid SCHEMBL8163839 | 0.85 | HTR2A (0.34) | SIGMAR1KDM4ELMNATP53CHRM2 | |
| Fluoride SCHEMBL7640655 | 0.85 | HTR2A (0.34) | SIGMAR1KDM4ELMNATP53CHRM2 | |
| SCHEMBL8754923 | 0.85 | HTR2A (0.34) | SIGMAR1KDM4ELMNATP53CHRM2 | |
| Hydrochloric Acid SCHEMBL7766826 | 0.84 | HTR2A (0.33) | SIGMAR1KDM4ELMNATP53CHRM2 | |
| Methyl Alcohol SCHEMBL7766797 | 0.84 | HTR2A (0.33) | SIGMAR1KDM4ELMNATP53CHRM2 | |
| Toluene SCHEMBL7807743 | 0.83 | LMNA (0.37) | TSHRSIGMAR1KDM4ELMNAHTR2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0834515-B1 | New Organotransition Metal Compounds | KANTO KAGAKU (JP) | 2004-02-25 | — | — | EP | disclosed |
| US-5859276-A | Organotransition metal compounds | KANTO KAGAKU KABUSHIKI KAISHA (JP) | 1999-01-12 | — | — | US | disclosed |
| EP-0834515-A2 | Transition-metal containing organic compounds and their use as catalysts for olefin polymerization | KANTO KAGAKU KABUSHIKI KAISHA (JP) | 1998-04-08 | — | — | EP | disclosed |