Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.43 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5551910 | 1.00 | CA1 (0.50) | CA1CA2CA7CA4CA9 | |
| SCHEMBL5551903 | 1.00 | CA1 (0.50) | CA1CA2CA7CA4CA9 | |
| SCHEMBL30071348 | 0.88 | CA1 (0.44) | CA1CA2CA7CA4CA9 | |
| SCHEMBL19301050 | 0.88 | CA1 (0.44) | CA1CA2CA7CA4CA9 | |
| SCHEMBL28356712 | 0.88 | CA1 (0.44) | CA1CA2CA7CA4CA9 | |
| SCHEMBL67814 | 0.87 | ALDH1A1 (0.43) | MMP1MMP2MMP3MMP9MMP8 | |
| SCHEMBL67813 | 0.87 | ALDH1A1 (0.43) | MMP1MMP2MMP3MMP9MMP8 | |
| SCHEMBL14923513 | 0.87 | ALDH1A1 (0.43) | MMP1MMP2MMP3MMP9MMP8 | |
| SCHEMBL2601216 | 0.86 | CTSK (0.46) | KMT2AKLK5MALT1ALDH1A1AKT1 | |
| SCHEMBL13175072 | 0.86 | CTSK (0.46) | KMT2AKLK5MALT1ALDH1A1AKT1 |
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 7 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 |
| US-20070244153-A1 | Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient | MITSUI CHEMICALS, INC. (JP) | 2007-10-18 | — | — | US | disclosed |
| EP-1770085-A1 | DIAMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND FUNGICIDE CONTAINING THE DERIVATIVE AS ACTIVE INGREDIENT | Mitsui Chemicals, Inc. (JP) | 2007-04-04 | — | — | EP | disclosed |
| US-7173057-B2 | Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus | SCHERING CORPORATION (US) | 2007-02-06 | — | — | US | disclosed |
| WO-2005085242-A1 | NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS | SCHERING CORPORATION (US) | 2005-09-15 | — | — | WO | 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 | CA1 3179/4885CA2 688/4885CA7 2926/4885 |
| US-20070244153-A1 | Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient | DDT, AOC1, QDPR | CA1 1106/4885CA2 1140/4885CA7 1312/4885 |
“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.