Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.64 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL11185193 | 0.91 | TSHR (0.53) | TSHRSLC6A2SLC6A4SLC6A3ADRA2A | |
| SCHEMBL7973709 | 0.83 | TSHR (0.64) | TSHRSLC6A2SLC6A4SLC6A3ADRA2A | |
| Hydrogen Peroxide SCHEMBL28927927 | 0.82 | TSHR (0.94) | TSHRSLC6A2SLC6A4SLC6A3ADRA2A | |
| SCHEMBL15424384 | 0.82 | TSHR (0.47) | TSHRSLC6A2SLC6A4SLC6A3ADRA2A | |
| SCHEMBL15348686 | 0.80 | SLC6A2 (0.46) | TSHRSLC6A2SLC6A4SLC6A3CYP2C19 | |
| SCHEMBL17158371 | 0.80 | SLC6A2 (0.46) | TSHRSLC6A2SLC6A4SLC6A3SLC18A3 | |
| SCHEMBL28467238 | 0.79 | TSHR (1.00) | TSHRSLC6A2SLC6A4SLC6A3ADRA2A | |
| SCHEMBL21026 | 0.79 | — | — | |
| SCHEMBL987488 | 0.79 | — | — | |
| SCHEMBL1943997 | 0.79 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6207668-B1 | FOR CONTROLLING INSECTS OR THEIR EGGS; AS FUNGICIDES, OVICIDES OR AS VETERINARY MEDICAMENTS | HOECHST SCHERING (DE) | 2001-03-27 | — | — | US | disclosed |
| EP-0892798-A1 | SUBSTITUTED PYRIDINES/PYRIMIDINES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF AS PESTICIDES | Hoechst Schering AgrEvo GmbH (DE) | 1999-01-27 | — | — | EP | disclosed |
| WO-1997037991-A1 | SUBSTITUTED PYRIDINES/PYRIMIDINES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF AS PESTICIDES | HOECHST SCHERING AGREVO GMBH (DE) | 1997-10-16 | — | — | WO | disclosed |
| US-4388104-A | 3-Phenylmethoxytetrahydropyran herbicides | SHELL OIL COMPANY (US) | 1983-06-14 | — | — | US | disclosed |