Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD38 | P28907 | 11/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30335881 | 0.82 | HTT (0.49) | CD38CYP2C19CYP2D6CYP2B6CYP1A2 | |
| SCHEMBL25201466 | 0.82 | HTT (0.49) | CD38CYP2C19CYP2D6CYP2B6CYP1A2 | |
| SCHEMBL3559627 | 0.80 | CD38 (0.46) | CD38CYP2C19CYP1A2CYP3A4NOS2 | |
| SCHEMBL25189627 | 0.80 | CD38 (0.46) | CD38CYP2C19CYP2D6CYP1A2TSHR | |
| SCHEMBL30261776 | 0.80 | CD38 (0.46) | CD38CYP2C19CYP2D6CYP1A2TSHR | |
| SCHEMBL3566113 | 0.79 | CD38 (0.45) | CD38CYP2C19CYP2D6CYP1A2TSHR | |
| Lithium Ion SCHEMBL30723374 | 0.78 | CD38 (0.44) | CD38CYP2C19CYP1A2NOS2 | |
| SCHEMBL30261826 | 0.78 | CD38 (0.44) | CD38CYP2C19CYP1A2NOS2 | |
| SCHEMBL25485897 | 0.77 | KDM4E (0.45) | CD38CYP2C19CYP2D6CYP2B6CYP1A2 | |
| SCHEMBL31005861 | 0.76 | L3MBTL1 (0.41) | CD38CYP2C19CYP1A2L3MBTL1NOS2 |
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 4 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 |
| 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 | CD38 3165/4885CYP2C19 632/4885CYP2D6 327/4885 |
“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.