Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.95 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.50 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.50 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.50 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.50 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.50 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | STAT6 | P42226 | 1/20 | 0.50 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 2/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL301876 | 1.00 | PKM (0.95) | PKMGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL2681206 | 1.00 | PKM (0.95) | PKMGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL5805656 | 1.00 | PKM (0.95) | PKMGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL2681204 | 1.00 | PKM (0.95) | PKMGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL18543598 | 1.00 | PKM (0.95) | PKMGRIN2DGRIN3BGRIN1GRIN2A | |
| Water SCHEMBL15937868 | 0.98 | PKM (0.91) | PKMGRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL20271907 | 0.98 | PKM (0.91) | PKMGRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL21490554 | 0.98 | PKM (0.91) | PKMGRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL566542 | 0.98 | PKM (0.91) | PKMGRIN2DGRIN3BGRIN1GRIN2A | |
| Acetic Acid SCHEMBL28202990 | 0.88 | PKM (0.74) | PKMGRIN2DGRIN3BGRIN1GRIN2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015092806-A1 | AN ADVANCED AND COST-EFFECTIVE PROCESS FOR PREPARING HIGHLY PURE VILDAGLIPTIN | HARMAN FINOCHEM LIMITED (IN) | 2015-06-25 | — | — | WO | disclosed |
| WO-2011012322-A9 | SYNTHESIS AND USE OF VILDAGLIPTIN FOR THE PREPARATION OF PHARMACEUTICAL DOSAGE FORMS | KRKA, D.D., NOVO MESTO (SI) | 2011-08-11 | — | — | WO | disclosed |