Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18052399 | 0.79 | CYP1A2 (0.38) | CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL943336 | 0.73 | — | — | |
| SCHEMBL11169275 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL5183498 | 0.70 | CYP1A2 (0.56) | CYP1A2CYP2C9TSHRCYP2C19 | |
| Bromide SCHEMBL11800221 | 0.70 | CYP1A2 (0.56) | CYP1A2CYP2C9TSHRCYP2C19 | |
| Ethylene SCHEMBL11417277 | 0.70 | CYP1A2 (0.56) | CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL7778096 | 0.68 | — | — | |
| SCHEMBL15318335 | 0.68 | — | — | |
| SCHEMBL2805012 | 0.68 | — | — | |
| SCHEMBL7922582 | 0.68 | — | — |
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-20210166927-A1 | SAMPLE QUANTITATION USING A MINIATURE MASS SPECTROMETER | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2021-06-03 | — | — | US | disclosed |