Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4789768 | 0.85 | TSHR (0.45) | ALDH1A1L3MBTL1KDM4ETSHRMEN1 | |
| SCHEMBL15597452 | 0.76 | MAPT (0.36) | ALDH1A1MAPTL3MBTL1KDM4EMEN1 | |
| SCHEMBL3588372 | 0.74 | ALDH1A1 (0.42) | ALDH1A1MAPTTSHRMEN1KMT2A | |
| SCHEMBL27619302 | 0.74 | ALDH1A1 (0.62) | ALDH1A1MAPTL3MBTL1KDM4ETSHR | |
| SCHEMBL6674552 | 0.73 | ATM (0.39) | ALDH1A1MAPTL3MBTL1TSHRCYP2C19 | |
| SCHEMBL12185431 | 0.71 | CYP1A2 (0.62) | ALDH1A1MAPTL3MBTL1KDM4ETSHR | |
| SCHEMBL29282055 | 0.71 | SLC18A2 (0.43) | MAPTKDM4ETSHRCYP1A2CYP2C19 | |
| SCHEMBL550205 | 0.71 | KCNH2 (0.47) | ALDH1A1MAPTL3MBTL1KDM4ETSHR | |
| SCHEMBL9936784 | 0.71 | CYP1A2 (0.53) | ALDH1A1MAPTL3MBTL1KDM4ETSHR | |
| SCHEMBL7218237 | 0.71 | MAPT (0.74) | ALDH1A1MAPTL3MBTL1KDM4ETSHR |
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-3252050-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |
| EP-3252049-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |