Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 4/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.55 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | PRKACA | P17612 | 2/20 | 0.48 |
| ▸ | PRKX | P51817 | 2/20 | 0.48 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.48 |
| ▸ | GRK5 | P34947 | 1/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | GSK3A | P49840 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL3765203 | 0.85 | MMP13 (0.57) | MMP13ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL8057403 | 0.85 | MMP13 (0.62) | MMP13ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL8069461 | 0.83 | MMP13 (0.58) | MMP13ADORA2AADORA1ROCK1ROCK2 | |
| SCHEMBL8055231 | 0.79 | MMP13 (0.58) | MMP13ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL3685174 | 0.78 | MMP13 (0.60) | MMP13ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL21756739 | 0.78 | MMP13 (0.62) | MMP13MAPTSMN1; SMN2KDM4EPRKACA | |
| SCHEMBL8056484 | 0.77 | MMP13 (0.53) | MMP13ADORA2AADORA1ROCK1ROCK2 | |
| SCHEMBL8058261 | 0.77 | MMP13 (0.51) | MMP13ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL8067349 | 0.76 | MMP13 (0.55) | MMP13ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL3747906 | 0.75 | MMP13 (0.76) | MMP13ADORA3ADORA2AADORA2BADORA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009016498-A1 | PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | PFIZER INC. (US) | 2009-02-05 | — | — | WO | disclosed |