Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL2856255 | 0.85 | GAA (0.48) | ALDH1A1 | |
| SCHEMBL2858150 | 0.84 | LMNA (0.52) | ALDH1A1KDM4EHPGDTP53KMT2A | |
| SCHEMBL2851648 | 0.84 | ALDH1A1 (0.51) | ALDH1A1HPGDCYP2D6MMP1MMP2 | |
| SCHEMBL2857248 | 0.79 | CARM1 (0.39) | ALDH1A1ROCK2 | |
| SCHEMBL2861183 | 0.78 | TP53 (0.47) | MMP13ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL2854435 | 0.77 | TSHR (0.48) | ALDH1A1HPGDTP53KMT2A | |
| SCHEMBL6581126 | 0.75 | MMP13 (0.55) | MMP13ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL4971087 | 0.74 | MMP13 (0.43) | MMP13ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL2858022 | 0.74 | CA12 (0.49) | MMP13ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL4971081 | 0.74 | MMP13 (0.43) | MMP13ALDH1A1KDM4EHPGDHSD17B10 |
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-1963277-B1 | FLUORINATED COMPOUNDS | NPS PHARMA INC (US) | 2010-01-20 | — | — | EP | claimed |
| EP-1963277-B1 | FLUORINATED COMPOUNDS | NPS PHARMA INC (US) | 2010-01-20 | — | — | EP | disclosed |