Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CD38 | P28907 | 4/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | ADH5 | P11766 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.34 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | LDHA | P00338 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 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 | |
|---|---|---|---|---|
| SCHEMBL31216537 | 0.86 | CHEK1 (0.48) | CHEK1ADH5LDHA | |
| SCHEMBL31216581 | 0.84 | HTT (0.50) | CHEK1CYP3A4BAZ2BHTTCD38 | |
| SCHEMBL5868906 | 0.80 | RAB9A (0.51) | CHEK1MAPTNPC1RAB9ALMNA | |
| SCHEMBL3561692 | 0.79 | CHEK1 (0.42) | CHEK1CYP3A4BAZ2BHTTCD38 | |
| SCHEMBL3561688 | 0.77 | CHEK1 (0.48) | CHEK1CYP3A4HTTCD38MAPT | |
| SCHEMBL21912296 | 0.76 | ALDH1A1 (0.45) | CHEK1HTTCD38MAPTNPC1 | |
| SCHEMBL5868797 | 0.76 | CHEK1 (0.44) | CHEK1CYP3A4BAZ2BHTTCD38 | |
| SCHEMBL9925916 | 0.75 | L3MBTL1 (0.39) | CHEK1CYP3A4MAPTENPP2MKNK1 | |
| SCHEMBL18708314 | 0.71 | CHEK1 (0.39) | CHEK1CYP3A4CD38IDO1MAPT | |
| SCHEMBL12402348 | 0.71 | CYP3A4 (0.37) | CHEK1CYP3A4IDO1MAPTENPP2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7825256-B2 | Inducible nitric oxide synthase dimerization inhibitors | KALYPSYS, INC. (US) | 2010-11-02 | — | — | US | disclosed |
| US-7825256-B2 | Inducible nitric oxide synthase dimerization inhibitors | KALYPSYS, INC. (US) | 2010-11-02 | — | — | US | disclosed |
| US-7825256-B2 | Inducible nitric oxide synthase dimerization inhibitors | KALYPSYS, INC. (US) | 2010-11-02 | — | — | US | disclosed |
| EP-1817030-A2 | INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS | Kalypsys, Inc. (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006060424-A2 | INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS | KALYPSYS, INC. (US) | 2006-06-08 | — | — | WO | disclosed |
| US-20060116515-A1 | Inducible nitric oxide synthase dimerization inhibitors | KALYPSYS, INC. | 2006-06-01 | — | — | US | 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-20060116515-A1 | Inducible nitric oxide synthase dimerization inhibitors | NOS3, NOS2, NOS1 | CHEK1 4415/4885CYP3A4 80/4885BAZ2B 2000/4885 |
“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.