Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 20/20 | 0.62 |
| ▸ | NOS1 | P29475 | 17/20 | 0.59 |
| ▸ | NOS3 | P29474 | 13/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4107374 | 0.89 | NOS2 (0.53) | NOS2NOS1NOS3CYP1A2CYP3A4 | |
| SCHEMBL13905670 | 0.88 | NOS2 (0.58) | NOS2NOS1NOS3 | |
| SCHEMBL4128670 | 0.87 | NOS2 (0.52) | NOS2NOS1NOS3CYP1A2CYP3A4 | |
| SCHEMBL4116968 | 0.81 | NOS2 (0.62) | NOS2NOS1NOS3 | |
| SCHEMBL4044042 | 0.77 | NOS2 (1.00) | NOS2NOS1NOS3CYP1A2CYP3A4 | |
| SCHEMBL13905816 | 0.76 | NOS2 (0.52) | NOS2NOS1NOS3 | |
| SCHEMBL4118665 | 0.75 | NOS2 (0.54) | NOS2NOS1NOS3 | |
| SCHEMBL5440913 | 0.75 | ALDH1A1 (0.59) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL4055925 | 0.74 | NOS2 (1.00) | NOS2NOS1NOS3CYP1A2CYP3A4 | |
| SCHEMBL4119332 | 0.74 | NOS2 (0.43) | NOS2NOS1NOS3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007117778-A9 | QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS INC (US) | 2009-05-22 | — | — | WO | disclosed |
| WO-2009029617-A1 | DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |
| EP-1986747-A2 | QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | Kalypsys, Inc. (US) | 2008-11-05 | — | — | EP | disclosed |
| US-20080139558-A1 | QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2008-06-12 | — | — | US | disclosed |
| WO-2007117778-A2 | QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2007-10-18 | — | — | WO | 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-20080139558-A1 | QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | NOS2, NOS1, NQO2 | NOS2 1/4885NOS1 2/4885NOS3 4/4885 |
“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.