Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 6/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 9/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11940575 | 0.95 | SLC11A2 (0.45) | HTTHPGDSLC11A2LMNABRD4 | |
| SCHEMBL11940555 | 0.82 | HTT (0.58) | HTTHPGDSLC11A2LMNAIDO1 | |
| SCHEMBL13028720 | 0.82 | KDM4E (0.38) | HTTLMNABRD4SMN1; SMN2KDM4E | |
| SCHEMBL11940581 | 0.81 | HTT (0.42) | HTTHPGDSLC11A2LMNAIDO1 | |
| SCHEMBL11940572 | 0.80 | SLC11A2 (0.43) | HTTHPGDSLC11A2LMNAIDO1 | |
| SCHEMBL11940573 | 0.79 | LMNA (0.47) | HTTHPGDSLC11A2LMNAIDO1 | |
| SCHEMBL11940553 | 0.79 | LMNA (0.47) | HTTHPGDSLC11A2LMNAIDO1 | |
| SCHEMBL11940547 | 0.78 | SLC11A2 (0.43) | HTTHPGDSLC11A2LMNAIDO1 | |
| SCHEMBL11940577 | 0.78 | LMNA (0.41) | HTTHPGDSLC11A2LMNAIDO1 | |
| SCHEMBL11940567 | 0.77 | HTT (0.40) | HTTHPGDSLC11A2LMNAIDO1 |
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-9610275-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2017-04-04 | — | — | 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-8338454-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2012-12-25 | — | — | US | disclosed |
| US-20120189537-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION | 2012-07-26 | — | — | 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 (3 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 | HTT 2947/4885HPGD 104/4885SLC11A2 914/4885 |
| US-20120189537-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | NOS1, NOS2, NOS3 | HTT 2947/4885HPGD 104/4885SLC11A2 914/4885 |
| US-20100298374-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | NOS1, NOS2, NOS3 | HTT 2947/4885HPGD 104/4885SLC11A2 914/4885 |
“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.