Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 3/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 3/20 | 0.35 |
| ▸ | CTSK | P43235 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 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 | |
|---|---|---|---|---|
| SCHEMBL27814764 | 0.82 | KMT2A (0.41) | SCN9AITGA4ITGB7MAPTALDH1A1 | |
| SCHEMBL3160853 | 0.81 | ITGA4 (0.42) | SCN9ATACR1ITGA4ITGB7CTSS | |
| SCHEMBL16001091 | 0.79 | TACR1 (0.50) | TACR1MAPTALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL3162028 | 0.79 | MMP8 (0.40) | TACR1MAPTMMP8CYP1A2CYP2C9 | |
| SCHEMBL4092239 | 0.74 | ITGA4 (0.49) | SCN9AITGA4ITGB7CTSSCTSK | |
| SCHEMBL4092431 | 0.74 | MMP13 (0.39) | SCN9ATACR1ITGA4ITGB7ALDH1A1 | |
| SCHEMBL4330313 | 0.72 | MMP8 (0.48) | ALDH1A1MMP8CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5972398 | 0.71 | MMP8 (0.47) | ALDH1A1MMP8CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL10564172 | 0.71 | ITGA4 (0.41) | TACR1ITGA4ITGB7MAPTALDH1A1 | |
| SCHEMBL15962599 | 0.70 | SCN9A (0.51) | SCN9ATACR1CTSSCTSKMAPT |
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-2417119-A2 | NO-CARRIER-ADDED NUCLEOPHILIC ÝF-18¨FLUORINATION OF AROMATIC COMPOUNDS | The Regents of The University of California (US) | 2012-02-15 | — | — | EP | disclosed |
| WO-2010117435-A2 | NO-CARRIER-ADDED NUCLEOPHILIC [F-18] FLUORINATION OF AROMATIC COMPOUNDS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-10-14 | — | — | WO | disclosed |