Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 6/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 2/20 | 0.34 |
| ▸ | TYMP | P19971 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4657860 | 0.91 | ABL1 (0.36) | KMO | |
| SCHEMBL4657924 | 0.88 | ALOX5 (0.43) | MAPTNPC1RAB9ANOTUMKDM4E | |
| SCHEMBL4659206 | 0.84 | KMO (0.40) | KMOCYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL4658006 | 0.83 | AHR (0.37) | KMOCYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL7808570 | 0.81 | AHR (0.45) | KMONPC1RAB9ANOTUMCXCR2 | |
| SCHEMBL4657944 | 0.81 | KDM4E (0.40) | NPC1RAB9ANOTUMKDM4ETYMP | |
| SCHEMBL4659069 | 0.79 | RAD51 (0.43) | MAPTNPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL3633670 | 0.76 | PTGES (0.39) | — | |
| SCHEMBL4659002 | 0.75 | KMO (0.34) | KMOCYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL4659178 | 0.74 | NR1H2 (0.41) | KMO |
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-2001849-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007110337-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-04 | — | — | WO | disclosed |