Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.42 |
| ▸ | IDH2 | P48735 | 1/20 | 0.42 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2241265 | 0.87 | ESR1 (0.46) | TSHRALDH1A1MAPK1TAAR1 | |
| SCHEMBL8718176 | 0.85 | TSHR (0.63) | TSHRALDH1A1MAPK1CES2MGLL | |
| SCHEMBL62723 | 0.84 | TSHR (0.67) | TSHRALDH1A1MAPK1CES2MGLL | |
| SCHEMBL178282 | 0.83 | TSHR (0.54) | TSHRALDH1A1MAPK1CES2MGLL | |
| SCHEMBL14030559 | 0.83 | TSHR (0.54) | TSHRALDH1A1MAPK1CES2MGLL | |
| Methyl Alcohol SCHEMBL9419583 | 0.82 | TSHR (0.58) | TSHRALDH1A1MAPK1CES2MGLL | |
| Methylamine SCHEMBL27581718 | 0.82 | TSHR (0.65) | TSHRALDH1A1MAPK1CES2MGLL | |
| Fluoride SCHEMBL30661872 | 0.82 | TSHR (0.64) | TSHRALDH1A1MAPK1CES2MGLL | |
| SCHEMBL30252943 | 0.82 | TSHR (0.64) | TSHRALDH1A1MAPK1CES2MGLL | |
| SCHEMBL30553105 | 0.82 | TSHR (0.64) | TSHRALDH1A1MAPK1CES2MGLL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998017660-A1 | PHENYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-04-30 | — | — | WO | disclosed |
| US-4307034-A | ALKYLATION | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 1981-12-22 | — | — | US | disclosed |