Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.44 |
| ▸ | PGK1 | P00558 | 1/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 5/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 2/20 | 0.32 |
| ▸ | JAK3 | P52333 | 2/20 | 0.32 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.32 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14928839 | 0.93 | KHK (0.43) | KHKPGK1CRHR1POLBALDH1A1 | |
| SCHEMBL3387733 | 0.90 | KHK (0.46) | KHKPGK1POLBALDH1A1PKM | |
| SCHEMBL14909396 | 0.90 | KHK (0.46) | KHKPGK1POLBALDH1A1PKM | |
| SCHEMBL14928413 | 0.89 | KHK (0.42) | KHKPGK1CRHR1POLBALDH1A1 | |
| SCHEMBL14928623 | 0.86 | KHK (0.43) | KHKPGK1CRHR1ALDH1A1SOS1 | |
| SCHEMBL14928858 | 0.86 | KHK (0.43) | KHKPGK1CRHR1ALDH1A1SOS1 | |
| SCHEMBL14928808 | 0.84 | KHK (0.42) | KHKPGK1POLBALDH1A1PKM | |
| SCHEMBL14928686 | 0.84 | KHK (0.43) | KHKPGK1POLBALDH1A1PKM | |
| SCHEMBL3346566 | 0.83 | KHK (0.44) | KHKPGK1POLBALDH1A1PKM | |
| SCHEMBL3380252 | 0.83 | KHK (0.44) | KHKPGK1POLBALDH1A1PKM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8895585-B2 | Nicotinamide derivative or salt thereof | FUJIFILM CORPORATION (JP) | 2014-11-25 | — | — | US | disclosed |
| US-8809371-B2 | — | — | 2014-08-19 | — | — | US | disclosed |
| US-20130116430-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | FUJIFILM CORPORATION (JP) | 2013-05-09 | — | — | 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-20130116430-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | SYK, CD38, BTK | KHK 2008/4885PGK1 4462/4885CRHR1 2628/4885 |
“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.