Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4349559 | 0.89 | MCL1 (0.47) | ALDH1A1KDM4EKMT2A | |
| SCHEMBL4185817 | 0.83 | ALDH1A1 (0.51) | ALDH1A1KDM4EKMT2A | |
| SCHEMBL4188335 | 0.80 | ALDH1A1 (0.46) | NPSR1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4185865 | 0.80 | KMT2A (0.48) | NPSR1ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4196894 | 0.74 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL4188256 | 0.74 | KDM4E (0.47) | NPSR1CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL4187652 | 0.73 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9433738 | 0.73 | MAPK1 (0.51) | ALDH1A1KDM4EKMT2A | |
| SCHEMBL4180223 | 0.72 | ALDH1A1 (0.44) | ALDH1A1KDM4EKMT2A | |
| SCHEMBL4751462 | 0.71 | NPSR1 (0.78) | NPSR1ALDH1A1CYP1A2CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009048274-A2 | BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES SUBSTITUTED WITH AMIDE, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2009-04-16 | — | — | WO | claimed |
| WO-2009048274-A2 | BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES SUBSTITUTED WITH AMIDE, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2009-04-16 | — | — | WO | disclosed |