Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 1/20 | 0.56 |
| ▸ | TYK2 | P29597 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.52 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | SMO | Q99835 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.47 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27965017 | 0.83 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9ATAAR1MEN1 | |
| SCHEMBL13901750 | 0.73 | SMN1; SMN2 (0.81) | CYP1A2CYP2C19SMN1; SMN2NPC1RAB9A | |
| SCHEMBL15271178 | 0.72 | JAK2 (1.00) | JAK2TYK2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL11294529 | 0.72 | — | — | |
| SCHEMBL13798845 | 0.72 | — | — | |
| SCHEMBL22862335 | 0.72 | TAAR1 (0.76) | CYP1A2CYP2C19SMN1; SMN2NPC1RAB9A | |
| SCHEMBL5225094 | 0.71 | KMT2A (0.69) | JAK2TYK2HPGDSMN1; SMN2NPC1 | |
| SCHEMBL1203522 | 0.71 | SMO (0.80) | JAK2TYK2CYP1A2CYP2C19HPGD | |
| SCHEMBL32664591 | 0.71 | CYP1A2 (0.67) | JAK2TYK2CYP1A2CYP2C19HPGD | |
| SCHEMBL22130289 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103804367-A | Benzodiazepine derivative, preparation method and use thereof | TIANJIN INST PHARM RESEARCH | 2014-05-21 | — | — | CN | disclosed |