Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | MIF | P14174 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6633592 | 0.78 | NPSR1 (0.35) | ALDH1A1TSHRNPSR1KMT2AL3MBTL1 | |
| SCHEMBL10112072 | 0.65 | — | — | |
| SCHEMBL23636205 | 0.62 | CTNNB1 (0.33) | KMT2AL3MBTL1 | |
| SCHEMBL10308375 | 0.61 | PDK2 (0.46) | ALDH1A1TSHRNPSR1MEN1KMT2A | |
| SCHEMBL9312487 | 0.61 | KMT2A (0.47) | ALDH1A1NPSR1MEN1CYP1A2CYP2D6 | |
| SCHEMBL28816039 | 0.61 | MEN1 (0.32) | ALDH1A1MEN1BLMKMT2ATDP1 | |
| SCHEMBL25139810 | 0.60 | KCNH2 (0.36) | ALDH1A1MEN1CYP1A2CYP2C9ADORA2A | |
| SCHEMBL163939 | 0.60 | TDP1 (0.56) | ALDH1A1TSHRNPSR1CYP3A4KMT2A | |
| SCHEMBL28283115 | 0.60 | TDP1 (0.56) | ALDH1A1TSHRNPSR1CYP3A4KMT2A | |
| SCHEMBL28308862 | 0.59 | MEN1 (0.31) | ALDH1A1MEN1BLMKMT2ATDP1 |
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 |