Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 4/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 4/20 | 0.33 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.33 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | KCNJ6 | P48051 | 3/20 | 0.32 |
| ▸ | KCNJ5 | P48544 | 3/20 | 0.32 |
| ▸ | KCNJ3 | P48549 | 3/20 | 0.32 |
| ▸ | CRACR2A | Q9BSW2 | 1/20 | 0.32 |
| ▸ | KCNT1 | Q5JUK3 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28149980 | 0.86 | POLB (0.37) | CYP3A4GAACYP2C19KCNJ6KCNJ5 | |
| SCHEMBL4072006 | 0.81 | PSMB8 (0.45) | SRCCYP3A4GAACYP2C19RET | |
| SCHEMBL28157869 | 0.81 | SRC (0.34) | SRCCYP3A4GAACYP2C19RET | |
| SCHEMBL27836331 | 0.77 | RET (0.47) | RETPSMB8PSMB9PSMB5KCNT1 | |
| SCHEMBL4069114 | 0.74 | KCNJ6 (0.53) | GAAPARP1PARP2KCNJ6KCNJ5 | |
| SCHEMBL27028207 | 0.72 | PARP1 (0.40) | PARP1PARP2PSMB8PSMB9PSMB5 | |
| SCHEMBL30559538 | 0.72 | KCNJ6 (0.39) | RETPARP1PSMB8PSMB9PSMB5 | |
| SCHEMBL3065968 | 0.70 | KCNT1 (0.46) | CYP3A4GAACYP2C19PSMB8PSMB9 | |
| SCHEMBL26976565 | 0.69 | PDK1 (0.41) | CYP3A4GAACYP2C19PSMB8PSMB9 | |
| SCHEMBL15718192 | 0.68 | SRC (0.36) | SRCRETPARP1CRACR2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-107001259-A | Substituted azetidine derivatives as TAAR ligands | 豪夫迈·罗氏有限公司 | 2017-08-01 | — | — | CN | claimed |
| CN-107001259-A | Substituted azetidine derivatives as TAAR ligands | 豪夫迈·罗氏有限公司 | 2017-08-01 | — | — | CN | disclosed |