Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | NOS1 | P29475 | 11/20 | 0.65 |
| ▸ | NOS3 | P29474 | 10/20 | 0.65 |
| ▸ | NOS2 | P35228 | 8/20 | 0.65 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | IDO1 | P14902 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | SLC22A2 | O15244 | 2/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.48 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.48 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.48 |
| ▸ | HTR3B | O95264 | 1/20 | 0.48 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.48 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL14501379 | 0.96 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C19NOS1 | |
| SCHEMBL7968255 | 0.84 | NOS1 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C19NOS1 | |
| SCHEMBL10480371 | 0.80 | TAAR1 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C19NOS1 | |
| SCHEMBL1387776 | 0.78 | NOS1 (1.00) | NOS1NOS3NOS2 | |
| SCHEMBL21067846 | 0.78 | NOS1 (1.00) | NOS1NOS3NOS2 | |
| SCHEMBL11064825 | 0.78 | TAAR1 (0.66) | CYP1A2CYP3A4CYP2D6CYP2C19NOS1 | |
| SCHEMBL15962333 | 0.78 | IDO1 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C19NOS1 | |
| Bromide SCHEMBL11804676 | 0.77 | NOS1 (0.96) | NOS1NOS3NOS2 | |
| Iodide SCHEMBL11683524 | 0.77 | NOS1 (1.00) | NOS1NOS3NOS2 | |
| Benzylamidinoisothiourea SCHEMBL14049927 | 0.77 | IDO1 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C19NOS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20010034342-A1 | Substituted urea and isothiourea derivatives as no synthase inhibitors | OPLINGER JEFFREY ALAN (US) | 2001-10-25 | — | — | 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 |
| US-4475942-A | N-Phosphonomethylglycine derivatives and herbicidal compositions containing them | GESHURI LABORATORIES LTD. (IL) | 1984-10-09 | — | — | US | disclosed |
| EP-0103055-A1 | N-phosphonomethylglycine derivatives and herbicidal compositions containing them | Geshuri Laboratories Ltd. (IL) | 1984-03-21 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20010034342-A1 | Substituted urea and isothiourea derivatives as no synthase inhibitors | NOS1, NOS2, SLC14A1 | CYP1A2 641/4885CYP3A4 215/4885CYP2D6 1041/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.