Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 5/20 | 0.47 |
| ▸ | NOS1 | P29475 | 5/20 | 0.47 |
| ▸ | NOS2 | P35228 | 5/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | GSR | P00390 | 1/20 | 0.46 |
| ▸ | OTC | P00480 | 1/20 | 0.45 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.42 |
| ▸ | ARG2 | P78540 | 4/20 | 0.42 |
| ▸ | ARG1 | P05089 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.41 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.41 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7785352 | 1.00 | NOS3 (0.47) | NOS3NOS1NOS2CYP2C19THPO | |
| S-Methyl-D-Thiocitrulline SCHEMBL7787855 | 0.95 | OTC (0.50) | NOS3NOS1NOS2CYP2C19THPO | |
| Thiocitrulline SCHEMBL8271436 | 0.95 | OTC (0.50) | NOS3NOS1NOS2CYP2C19THPO | |
| Thiocitrulline SCHEMBL31698913 | 0.94 | OTC (0.49) | NOS3NOS1NOS2CYP2C19THPO | |
| SCHEMBL7785336 | 0.84 | GSR (0.43) | NOS3NOS1NOS2GSROTC | |
| SCHEMBL7788124 | 0.84 | NOS1 (0.49) | NOS3NOS1NOS2GSROTC | |
| SCHEMBL7789549 | 0.84 | GSR (0.43) | NOS3NOS1NOS2GSROTC | |
| SCHEMBL7791700 | 0.84 | NOS1 (0.49) | NOS3NOS1NOS2GSROTC | |
| SCHEMBL19981422 | 0.83 | NOS3 (0.49) | NOS3NOS1NOS2CYP2C19THPO | |
| SCHEMBL1387804 | 0.82 | OTC (0.41) | NOS3NOS1NOS2GSROTC |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0723438-A1 | SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-07-31 | — | — | EP | claimed |
| WO-1995009619-A2 | SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-04-13 | — | — | WO | claimed |
| US-6297276-B1 | Substituted urea and isothiourea derivatives as no synthase inhibitors | GLAXOSMITHKLINE | 2001-10-02 | — | — | US | disclosed |
| US-6225305-B1 | Substituted urea and isothiorea derivatives as no synthase inhibitors | GLAXO WELLCOME INC. | 2001-05-01 | — | — | US | disclosed |
| US-6090846-A | ADMINISTERING S-ETHYL-N-((4-TRIFLUOROMETHYL)PHENYL)ISOTHIOUREA | GLAXO WELLCOME INC. (US) | 2000-07-18 | — | — | US | disclosed |
| EP-0723438-A1 | SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-07-31 | — | — | EP | disclosed |
| WO-1995009619-A2 | SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-04-13 | — | — | WO | disclosed |