Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 7/20 | 0.41 |
| ▸ | CTSK | P43235 | 6/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.36 |
| ▸ | CTSL | P07711 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL19790593 | 1.00 | TRPA1 (0.43) | TRPA1CTSSCTSKS1PR3AAK1 | |
| SCHEMBL3370807 | 0.93 | TRPA1 (0.43) | TRPA1CTSSCTSKS1PR3AAK1 | |
| SCHEMBL14923558 | 0.93 | TRPA1 (0.43) | TRPA1CTSSCTSKS1PR3AAK1 | |
| SCHEMBL15081308 | 0.92 | TRPA1 (0.42) | TRPA1CTSSCTSKS1PR3AAK1 | |
| SCHEMBL15081345 | 0.90 | TRPA1 (0.42) | TRPA1AAK1CYP2D6 | |
| SCHEMBL15081406 | 0.90 | TRPA1 (0.42) | TRPA1S1PR3AAK1 | |
| SCHEMBL15081357 | 0.90 | TRPA1 (0.43) | TRPA1S1PR3AAK1CTSL | |
| SCHEMBL15081497 | 0.90 | TRPA1 (0.43) | TRPA1CTSSCTSKS1PR3AAK1 | |
| SCHEMBL15081390 | 0.90 | TRPA1 (0.42) | TRPA1CTSSCTSKAAK1 | |
| SCHEMBL15081436 | 0.88 | TRPA1 (0.41) | TRPA1CTSSCTSKS1PR3AAK1 |
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-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 |
| WO-2013099041-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | 富士フイルム株式会社 (JP) | 2013-07-04 | — | — | WO | 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 | TRPA1 1310/4885CTSS 3435/4885CTSK 3872/4885 |
| US-20140309225-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | SYK, BTK, NOX4 | TRPA1 1881/4885CTSS 4028/4885CTSK 3774/4885 |
“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.