Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 5/20 | 0.36 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | METAP1 | P53582 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Pentane SCHEMBL10425869 | 0.92 | OPRM1 (0.39) | TSHRCA1CA2CA12CA9 | |
| Hydrogen Peroxide SCHEMBL18614730 | 0.81 | — | — | |
| SCHEMBL4635 | 0.80 | — | — | |
| SCHEMBL29399686 | 0.80 | — | — | |
| SCHEMBL2487739 | 0.80 | — | — | |
| SCHEMBL907968 | 0.80 | TSHR (0.44) | TSHRCA1METAP1OPRM1CHRM1 | |
| SCHEMBL28418575 | 0.80 | TSHR (0.38) | TSHRCA1CA2METAP1OPRM1 | |
| Propionamide SCHEMBL14344179 | 0.78 | CHRM1 (0.40) | TSHRCA1CA2METAP1CHRM1 | |
| Isopropyl Alcohol SCHEMBL2245070 | 0.78 | TSHR (0.45) | TSHRCA1METAP1CHRM1AKR1A1 | |
| Hypochlorous Acid SCHEMBL11410814 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0423251-A4 | ASSAY FOR QUALITATIVE AND QUANTITATIVE DETECTION OF ORGANIC AND INORGANIC ANALYTES OF DIVERSE CHEMICAL CLASSES VIA THE SELECTIVE FORMATION AND GROWTH OF LIGHT SCATTERING CRYSTALS | — | 1993-06-09 | — | — | EP | disclosed |