Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 3/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.57 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | PRKACA | P17612 | 1/20 | 0.53 |
| ▸ | GSK3A | P49840 | 1/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.53 |
| ▸ | PRKX | P51817 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8072341 | 0.84 | MMP13 (0.59) | MMP13ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL8067349 | 0.83 | MMP13 (0.55) | MMP13ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL3685174 | 0.82 | MMP13 (0.60) | MMP13ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL13837856 | 0.81 | MMP13 (0.53) | MMP13ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL8358822 | 0.80 | MMP13 (0.69) | MMP13KDM4EHPGDALDH1A1USP2 | |
| SCHEMBL8068341 | 0.80 | MMP13 (0.52) | MMP13ALDH1A1ROCK2ROCK1HTT | |
| SCHEMBL8070937 | 0.79 | MMP13 (0.57) | MMP13ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL14648409 | 0.79 | MMP13 (0.50) | MMP13ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL3765203 | 0.78 | MMP13 (0.57) | MMP13ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL31347378 | 0.77 | MMP13 (0.58) | MMP13KDM4EHPGDALDH1A1USP2 |
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 |