Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | MAP3K8 | P41279 | 2/20 | 0.37 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 3/20 | 0.37 |
| ▸ | JAK3 | P52333 | 3/20 | 0.37 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.37 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | NOS2 | P35228 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3370764 | 0.91 | KHK (0.44) | KHKNPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14928776 | 0.90 | JAK3 (0.46) | KHKNPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16168998 | 0.90 | KHK (0.43) | KHKNPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16168989 | 0.90 | KHK (0.40) | KHKNPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16168988 | 0.87 | KHK (0.42) | KHKNPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3386362 | 0.87 | KHK (0.45) | KHKNPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14923560 | 0.87 | KHK (0.45) | KHKNPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16169023 | 0.87 | KHK (0.42) | KHKNPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16169026 | 0.86 | KHK (0.43) | KHKNPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16207729 | 0.86 | CYP1A2 (0.39) | KHKNPSR1CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-9051310-B2 | Nicotinamide derivative or salt thereof | FUJIFILM CORPORATION (JP) | 2015-06-09 | — | — | US | disclosed |
| US-8895585-B2 | Nicotinamide derivative or salt thereof | FUJIFILM CORPORATION (JP) | 2014-11-25 | — | — | US | disclosed |
| US-20140309225-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | FUJIFILM CORPORATION (JP) | 2014-10-16 | — | — | 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 (2 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 2008/4885NPSR1 935/4885CYP1A2 4413/4885 |
| US-20140309225-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | SYK, BTK, NOX4 | KHK 1750/4885NPSR1 921/4885CYP1A2 3310/4885 |
“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.