Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.57 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.54 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.52 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL28048769 | 0.89 | CYP11B1 (0.57) | LTA4HCYP11B1CYP11B2NPC1RAB9A | |
| SCHEMBL13097024 | 0.86 | MAPK1 (0.64) | MAPK1HTR1ADRD2SMN1; SMN2 | |
| SCHEMBL3165235 | 0.85 | CYP2D6 (0.49) | LTA4HCYP11B1CYP11B2CYP2D6CYP1A2 | |
| SCHEMBL14117472 | 0.83 | ALDH1A1 (0.55) | LTA4HCYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7311175 | 0.81 | MAPK1 (0.65) | RAB9AMAPK1HTR1ADRD2 | |
| SCHEMBL13097025 | 0.81 | DRD2 (0.49) | CYP11B1CYP11B2CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL12015516 | 0.81 | F2 (0.51) | CYP2D6CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL14093185 | 0.81 | NPC1 (0.63) | LTA4HCYP2D6CYP3A4CYP2C9NPC1 | |
| SCHEMBL3170078 | 0.81 | CHRNA7 (0.44) | LTA4HCYP11B1CYP11B2CYP2D6CYP1A2 | |
| SCHEMBL1070131 | 0.80 | NPC1 (0.73) | LTA4HNPC1RAB9ADRD2TAAR1 |
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 |