Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 11/20 | 0.64 |
| ▸ | NOS3 | P29474 | 9/20 | 0.64 |
| ▸ | NOS2 | P35228 | 8/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | BLM | P54132 | 2/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | IDO1 | P14902 | 2/20 | 0.54 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.51 |
| ▸ | HTR3B | O95264 | 1/20 | 0.51 |
| ▸ | PLAU | P00749 | 1/20 | 0.51 |
| ▸ | HTR3A | P46098 | 1/20 | 0.51 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.51 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.51 |
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 | 0.87 | CYP1A2 (0.62) | NOS1NOS3NOS2ALDH1A1CYP1A2 | |
| SCHEMBL7785356 | 0.84 | CYP1A2 (0.67) | NOS1NOS3NOS2ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL7787958 | 0.77 | NOS1 (1.00) | NOS1NOS3NOS2ALDH1A1LMNA | |
| SCHEMBL15962333 | 0.72 | IDO1 (0.64) | NOS1NOS3NOS2ALDH1A1CYP1A2 | |
| SCHEMBL8398110 | 0.71 | MEN1 (0.66) | NOS1NOS3NOS2ALDH1A1LMNA | |
| SCHEMBL7582713 | 0.71 | IDO1 (0.50) | NOS1NOS3NOS2ALDH1A1IDO1 | |
| SCHEMBL3773147 | 0.71 | IDO1 (1.00) | NOS1NOS3NOS2ALDH1A1IDO1 | |
| SCHEMBL13319587 | 0.70 | MAPT (0.53) | ALDH1A1CYP1A2CYP3A4CYP2C19IDO1 | |
| SCHEMBL10480371 | 0.70 | TAAR1 (0.62) | NOS1NOS3NOS2ALDH1A1CYP1A2 | |
| SCHEMBL6437580 | 0.69 | HTR3E (1.00) | NOS1NOS3NOS2ALDH1A1LMNA |
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 |