Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 11/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | STK17B | O94768 | 1/20 | 0.34 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | KHK | P50053 | 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 | |
|---|---|---|---|---|
| SCHEMBL3356984 | 1.00 | AAK1 (0.44) | AAK1TRPA1CTSLCTSBCTSS | |
| SCHEMBL14923607 | 1.00 | AAK1 (0.44) | AAK1TRPA1CTSLCTSBCTSS | |
| SCHEMBL10251020 | 0.90 | SYK (0.39) | AAK1TRPA1CTSSCTSKSYK | |
| SCHEMBL14931122 | 0.89 | BRD4 (0.45) | AAK1TRPA1CTSSCTSKSYK | |
| SCHEMBL14923673 | 0.88 | TRPA1 (0.41) | AAK1TRPA1CTSSCTSKSYK | |
| SCHEMBL14923528 | 0.88 | BRD4 (0.38) | AAK1TRPA1CTSSCTSKSYK | |
| SCHEMBL14923519 | 0.87 | BRD4 (0.41) | AAK1TRPA1CTSSCTSKSYK | |
| SCHEMBL14931117 | 0.87 | TRPA1 (0.42) | AAK1TRPA1CTSSCTSKSYK | |
| SCHEMBL14923676 | 0.87 | TRPA1 (0.42) | AAK1TRPA1CTSSCTSKSYK | |
| SCHEMBL14923522 | 0.86 | CTSS (0.38) | AAK1TRPA1CTSSCTSKSYK |
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-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 |
| EP-2589592-A1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | FUJIFILM Corporation (JP) | 2013-05-08 | — | — | EP | 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 | AAK1 1635/4885TRPA1 1310/4885CTSL 3939/4885 |
| US-20140309225-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | SYK, BTK, NOX4 | AAK1 1519/4885TRPA1 1881/4885CTSL 3375/4885 |
“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.