Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 2/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | NAMPT | P43490 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | NHERF1 | O14745 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | SRC | P12931 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL6300914 | 0.93 | HDAC2 (0.57) | HDAC2HDAC3HDAC1NCOR2DRD2 | |
| SCHEMBL18750641 | 0.85 | HDAC2 (0.57) | HDAC2HDAC3HDAC1NCOR2DRD2 | |
| SCHEMBL17149766 | 0.83 | HDAC2 (0.57) | HDAC2HDAC3HDAC1NCOR2DRD2 | |
| SCHEMBL6657894 | 0.81 | NHERF1 (0.69) | HDAC2HDAC3HDAC1NCOR2DRD2 | |
| SCHEMBL17149769 | 0.79 | LMNA (0.62) | HDAC2HDAC3HDAC1NCOR2DRD2 | |
| SCHEMBL2760063 | 0.78 | HDAC3 (0.60) | HDAC2HDAC3HDAC1NAMPTCYP2C9 | |
| SCHEMBL2735969 | 0.78 | CA12 (0.72) | HDAC2HDAC3HDAC1NCOR2DRD2 | |
| SCHEMBL6885836 | 0.77 | HDAC2 (0.59) | HDAC2HDAC3HDAC1NCOR2DRD2 | |
| SCHEMBL18669175 | 0.77 | KDM4E (0.60) | HDAC2HDAC3HDAC1DRD2DRD3 | |
| SCHEMBL6657027 | 0.77 | HDAC2 (0.67) | HDAC2HDAC3HDAC1NCOR2DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1003504-A2 | INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS | AstraZeneca UK Limited (GB) | 2000-05-31 | — | — | EP | disclosed |
| WO-1999007351-A2 | INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS | ZENECA LIMITED (GB) | 1999-02-18 | — | — | WO | disclosed |