Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OTC | P00480 | 1/20 | 0.40 |
| ▸ | GSR | P00390 | 2/20 | 0.40 |
| ▸ | ARG2 | P78540 | 4/20 | 0.37 |
| ▸ | ARG1 | P05089 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | DDAH1 | O94760 | 3/20 | 0.36 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.35 |
| ▸ | GRM8 | O00222 | 1/20 | 0.34 |
| ▸ | GRM6 | O15303 | 1/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20104707 | 0.76 | — | — | |
| SCHEMBL15209382 | 0.74 | OTC (0.51) | OTCGSRARG2ARG1CYP1A2 | |
| SCHEMBL2235195 | 0.74 | OTC (0.51) | OTCGSRARG2ARG1CYP1A2 | |
| SCHEMBL14844417 | 0.73 | GSR (0.50) | OTCGSRARG2ARG1CYP1A2 | |
| SCHEMBL18741586 | 0.73 | GSR (0.50) | OTCGSRARG2ARG1CYP1A2 | |
| SCHEMBL8709636 | 0.73 | GSR (0.50) | OTCGSRARG2ARG1CYP1A2 | |
| SCHEMBL13337953 | 0.73 | GSR (0.54) | OTCGSRARG2ARG1CYP1A2 | |
| SCHEMBL17274213 | 0.73 | GSR (0.54) | OTCGSRARG2ARG1CYP1A2 | |
| SCHEMBL20104775 | 0.71 | GSR (0.48) | GSRARG2ARG1CYP1A2CYP2C19 | |
| SCHEMBL20104774 | 0.71 | GSR (0.48) | GSRARG2ARG1CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-11195597-B2 | Method and device for calculating acid dissociation constant, and program | FUJITSU LIMITED (JP) | 2021-12-07 | — | — | US | disclosed |
| US-20180121632-A1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | FUJITSU LIMITED (JP) | 2018-05-03 | — | — | US | disclosed |