Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | MIF | P14174 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | F3 | P13726 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16426716 | 0.86 | MAOB (0.48) | MAOBMAOACYP19A1CYP11B2CYP11B1 | |
| SCHEMBL16427343 | 0.86 | KDR (0.49) | MAOBMAOACYP19A1CYP11B2CYP11B1 | |
| SCHEMBL16427344 | 0.86 | KDR (0.49) | MAOBMAOACYP19A1CYP11B2CYP11B1 | |
| SCHEMBL16426717 | 0.86 | MAOB (0.48) | MAOBMAOACYP19A1CYP11B2CYP11B1 | |
| SCHEMBL16426515 | 0.85 | ELANE (0.43) | MAOBHPGDMIFMAPTHTT | |
| SCHEMBL16426516 | 0.85 | ELANE (0.43) | MAOBHPGDMIFMAPTHTT | |
| SCHEMBL27755298 | 0.82 | MAPT (0.52) | MAOBHPGDMIFMAPTMAOA | |
| SCHEMBL16426828 | 0.82 | CYP1A2 (0.49) | MAOBMAPTMAOACYP1A2 | |
| SCHEMBL16426829 | 0.82 | CYP1A2 (0.49) | MAOBMAPTMAOACYP1A2 | |
| SCHEMBL31219504 | 0.80 | MAOB (0.47) | MAOBHPGDMIFMAPTHTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106478645-B | A kind of cyclosubstituted spiro indole diketopiperazine compound of virtue and its synthetic method | 陕西科技大学 | 2018-10-23 | — | — | CN | claimed |
| CN-106478645-A | A kind of fragrant cyclosubstituted spiro indole diketopiperazine compound and its synthetic method | 陕西科技大学 | 2017-03-08 | — | — | CN | claimed |
| CN-106478645-B | A kind of cyclosubstituted spiro indole diketopiperazine compound of virtue and its synthetic method | 陕西科技大学 | 2018-10-23 | — | — | CN | disclosed |
| CN-106478645-A | A kind of fragrant cyclosubstituted spiro indole diketopiperazine compound and its synthetic method | 陕西科技大学 | 2017-03-08 | — | — | CN | disclosed |