Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP9 | P14780 | 2/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 6/20 | 0.40 |
| ▸ | CA2 | P00918 | 6/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.33 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.31 |
| ▸ | APLNR | P35414 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18697056 | 0.86 | PKM (0.41) | MMP9MEN1KMT2ACA1CA2 | |
| SCHEMBL3258334 | 0.85 | CA2 (0.50) | MMP9CA1CA2CA9KDM4E | |
| SCHEMBL2961510 | 0.83 | CYP2A6 (0.46) | CA1CA2CA9TSHRCA12 | |
| SCHEMBL23649655 | 0.79 | L3MBTL1 (0.43) | MMP9MMP13MEN1KMT2ACA1 | |
| SCHEMBL17891745 | 0.78 | CA2 (0.44) | MMP9CA1CA2CA9KDM4E | |
| SCHEMBL13527822 | 0.78 | CA2 (0.50) | MMP9MEN1KMT2ACA1CA2 | |
| SCHEMBL6991225 | 0.78 | CA1 (0.48) | MMP9MEN1KMT2ACA1CA2 | |
| SCHEMBL19972561 | 0.78 | RORC (0.41) | MMP9CA1CA2CA9KDM4E | |
| SCHEMBL980388 | 0.77 | CA1 (0.44) | MMP9CA1CA2CA9KDM4E | |
| SCHEMBL1284072 | 0.77 | CA1 (0.43) | MMP9MEN1KMT2ACA1CA2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9340491-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2016-05-17 | — | — | US | disclosed |
| US-9340491-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2016-05-17 | — | — | US | disclosed |
| US-20130245062-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION (US) | 2013-09-19 | — | — | US | disclosed |
| US-20130245062-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION (US) | 2013-09-19 | — | — | US | disclosed |
| US-8338454-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2012-12-25 | — | — | US | disclosed |
| US-8338454-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2012-12-25 | — | — | US | disclosed |
| US-20100298374-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION (US) | 2010-11-25 | — | — | US | disclosed |
| US-20100298374-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION (US) | 2010-11-25 | — | — | 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-20130245062-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | NOS1, NOS2, NOS3 | MMP9 2624/4885MMP13 3014/4885MEN1 2249/4885 |
| US-20100298374-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | NOS1, NOS2, NOS3 | MMP9 2624/4885MMP13 3014/4885MEN1 2249/4885 |
“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.