Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CREBBP | Q92793 | 7/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 6/20 | 0.45 |
| ▸ | EP300 | Q09472 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16716881 | 0.83 | MTNR1A (0.52) | ACHEMTNR1ADRD2DRD3HTR1A | |
| SCHEMBL11748868 | 0.83 | MTNR1A (0.52) | ACHEMTNR1ADRD2DRD3HTR1A | |
| SCHEMBL30330058 | 0.83 | MTNR1A (0.52) | ACHEMTNR1ADRD2DRD3HTR1A | |
| Hydrochloric Acid SCHEMBL16716904 | 0.81 | MTNR1A (0.51) | ACHEMTNR1ADRD2DRD3HTR1A | |
| Hydrochloric Acid SCHEMBL16716907 | 0.81 | MTNR1A (0.51) | ACHEMTNR1ADRD2DRD3HTR1A | |
| SCHEMBL15311495 | 0.80 | CREBBP (0.39) | CREBBPBRD4EP300 | |
| SCHEMBL926564 | 0.76 | DRD2 (0.52) | CREBBPACHEMTNR1ADRD2DRD3 | |
| SCHEMBL7660514 | 0.76 | DRD2 (0.52) | CREBBPACHEMTNR1ADRD2DRD3 | |
| SCHEMBL9336652 | 0.76 | CREBBP (0.51) | CREBBPACHEBRD4EP300ALDH1A1 | |
| SCHEMBL4838972 | 0.74 | DRD2 (0.51) | CREBBPACHEMTNR1ADRD2DRD3 |
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-110437123-B | Method for synthesizing optically pure 2-substituted indoline compound through dynamic kinetic resolution | 华中师范大学 | 2023-01-03 | — | — | CN | disclosed |