Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ARG1 | P05089 | 1/20 | 0.33 |
| ▸ | ARG2 | P78540 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 4/20 | 0.31 |
| ▸ | JAK1 | P23458 | 4/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6170436 | 0.79 | ARG1 (0.37) | ARG1ARG2CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL17395338 | 0.79 | ARG1 (0.37) | ARG1ARG2CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL8116636 | 0.75 | ARG1 (0.40) | ARG1ARG2CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL4711308 | 0.75 | ARG1 (0.36) | ARG1ARG2CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL2334849 | 0.75 | CYP2C19 (0.36) | ALDH1A1ARG1ARG2 | |
| SCHEMBL17395342 | 0.73 | CYP2C19 (0.39) | ALDH1A1ARG1ARG2 | |
| SCHEMBL8123993 | 0.73 | ARG1 (0.42) | ARG1ARG2CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL8106291 | 0.72 | CYP2D6 (0.33) | MEN1ALDH1A1KMT2AARG1ARG2 | |
| SCHEMBL7978321 | 0.70 | — | — | |
| SCHEMBL17395386 | 0.70 | CYP2C19 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1651623-A4 | HEXAHYDRODIAZEPINONES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2006-10-04 | — | — | EP | disclosed |
| EP-1651623-A2 | HEXAHYDRODIAZEPINONES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | Merck & Co., Inc. (US) | 2006-05-03 | — | — | EP | disclosed |
| WO-2005011581-A2 | HEXAHYDRODIAZEPINONES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2005-02-10 | — | — | WO | disclosed |