Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PANK3 | Q9H999 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 4/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.35 |
| ▸ | DGKZ | Q13574 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL31421020 | 0.74 | PANK3 (0.49) | PANK3CTSKCTSSALDH1A1HTR1A | |
| SCHEMBL29324869 | 0.73 | PANK3 (0.48) | PANK3CTSKCTSSALDH1A1HTR1A | |
| SCHEMBL15137791 | 0.71 | PARP1 (0.46) | PANK3IDH1EGLN2HCRTR1HCRTR2 | |
| SCHEMBL24920541 | 0.70 | RXRA (0.39) | L3MBTL1IDH1ALDH1A1PARP1 | |
| SCHEMBL20746423 | 0.70 | ALDH1A1 (0.44) | IDH1P2RX3ALDH1A1 | |
| SCHEMBL20745993 | 0.70 | PARP1 (0.35) | L3MBTL1IDH1ALDH1A1NR1H2PARP1 | |
| SCHEMBL6576703 | 0.69 | L3MBTL1 (0.47) | L3MBTL1ALDH1A1 | |
| SCHEMBL31621989 | 0.69 | CTSK (0.41) | PANK3CTSKCTSSHCRTR1HCRTR2 | |
| SCHEMBL23018130 | 0.68 | ALDH1A1 (0.40) | ALDH1A1EGLN2SCN9ATBK1 | |
| SCHEMBL567862 | 0.68 | PIK3CA (0.50) | PANK3L3MBTL1ALDH1A1 |
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-2804851-B1 | LACTAM DERIVATES USEFUL AS INHIBITORS OF MUTANT IDH1 | AGIOS PHARMACEUTICALS INC (US) | 2018-07-18 | — | — | EP | disclosed |
| WO-2015010626-A1 | THERAPEUTICALLY ACTIVE COMPOUNDS AND USE THEREOF | AGIOS PHARMACEUTICALS, INC. (US) | 2015-01-29 | — | — | WO | disclosed |