Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.54 |
| ▸ | USP2 | O75604 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 7/20 | 0.51 |
| ▸ | DRD3 | P35462 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20765595 | 0.85 | DRD3 (0.51) | ALDH1A1DRD2DRD3KCNA5MAPT | |
| SCHEMBL20765784 | 0.85 | KDM4E (0.48) | ALDH1A1KDM4EHTTDRD2DRD3 | |
| SCHEMBL20765619 | 0.78 | ALDH1A1 (0.40) | ALDH1A1DRD2DRD3MAPT | |
| SCHEMBL20765618 | 0.78 | ALDH1A1 (0.40) | ALDH1A1DRD2DRD3MAPT | |
| SCHEMBL20765555 | 0.78 | ALDH1A1 (0.66) | CYP2D6USP2ALDH1A1KDM4EHTT | |
| SCHEMBL20765612 | 0.74 | ALDH1A1 (0.56) | ALDH1A1KDM4EHTTNPC1 | |
| SCHEMBL20765771 | 0.73 | ALDH1A1 (0.59) | CYP2D6USP2ALDH1A1KDM4EHTT | |
| SCHEMBL20765593 | 0.73 | KDM4E (0.48) | ALDH1A1KDM4EHTTDRD2DRD3 | |
| SCHEMBL19970844 | 0.70 | LMNA (0.46) | ALDH1A1KDM4EHTTNPC1SMN1; SMN2 | |
| SCHEMBL20774925 | 0.70 | ALDH1A1 (0.52) | ALDH1A1KDM4EHTTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019038683-A1 | COMPOUNDS TARGETING TANDEM BRCT DOMAINS OF BRCA1, COMPOSITIONS AND METHODS THEREOF | INSTITUTE FOR STEM CELL BIOLOGY AND REGENERATIVE MEDICINE (IN) | 2019-02-28 | — | — | WO | claimed |