Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.33 |
| ▸ | AR | P10275 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL29218163 | 0.86 | GPR119 (0.37) | GPR119CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL8770380 | 0.71 | AAK1 (0.40) | CYP2C9CYP2C19AAK1HPGDKDM4E | |
| SCHEMBL24933585 | 0.71 | AAK1 (0.57) | LMNAAAK1L3MBTL1KDM4EMEN1 | |
| SCHEMBL24934106 | 0.71 | AAK1 (0.40) | CYP2C9CYP2C19AAK1HPGDKDM4E | |
| SCHEMBL5467653 | 0.69 | GAA (0.43) | CYP2C9CYP2C19AAK1HPGDRXRA | |
| SCHEMBL6581250 | 0.69 | LMNA (0.42) | CYP2C9CYP2C19CYP1A2CYP3A4LMNA | |
| SCHEMBL14431532 | 0.68 | FFAR1 (0.41) | LMNAHPGDL3MBTL1KDM4EMEN1 | |
| SCHEMBL24934239 | 0.68 | MAPT (0.44) | LMNAL3MBTL1MEN1KMT2ADDB1 | |
| SCHEMBL8770253 | 0.68 | S1PR4 (0.49) | CYP1A2CYP3A4LMNAL3MBTL1MEN1 | |
| SCHEMBL29218220 | 0.67 | MAPT (0.43) | LMNAL3MBTL1KDM4EMEN1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023009475-A1 | ROCK2 INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-02-02 | — | — | WO | disclosed |