Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 12/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 12/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 12/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 12/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 12/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 11/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | BRS3 | P32247 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5449641 | 0.93 | DPP4 (0.49) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL5449534 | 0.90 | CYP2E1 (0.43) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL5753497 | 0.89 | CYP2E1 (0.45) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL5750264 | 0.74 | DPP4 (0.45) | SMN1; SMN2NPC1RAB9ADPP4 | |
| SCHEMBL19974642 | 0.70 | BRS3 (0.54) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL15693611 | 0.69 | RAB9A (0.76) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL17970620 | 0.69 | BRS3 (0.61) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL6475837 | 0.69 | CYP2E1 (0.57) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL15693609 | 0.69 | CYP2D6 (0.73) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL15693618 | 0.68 | NPC1 (0.69) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1678138-A1 | PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV | Takeda Pharmaceutical Company Limited (JP) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005042488-A1 | PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-05-12 | — | — | WO | disclosed |