Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNRHR | P30968 | 8/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | PRKCB | P05771 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | LYN | P07948 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.35 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.35 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.35 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17870723 | 0.92 | GNRHR (0.41) | GNRHRCYP3A4DRD2IDO1MALT1 | |
| SCHEMBL30178348 | 0.92 | GNRHR (0.41) | GNRHRCYP3A4DRD2IDO1MALT1 | |
| SCHEMBL28639211 | 0.91 | DRD2 (0.43) | GNRHRCYP3A4DRD2PDPK1CCNB2 | |
| SCHEMBL19873836 | 0.88 | DRD2 (0.36) | GNRHRCYP3A4DRD2IDO1PDPK1 | |
| SCHEMBL30178472 | 0.88 | DRD2 (0.36) | GNRHRCYP3A4DRD2IDO1PDPK1 | |
| SCHEMBL28645644 | 0.84 | GNRHR (0.37) | GNRHRCYP3A4 | |
| SCHEMBL17870746 | 0.83 | MALT1 (0.38) | GNRHRCYP3A4DRD2IDO1MALT1 | |
| SCHEMBL30178350 | 0.83 | DRD2 (0.44) | GNRHRCYP3A4DRD2MALT1CAMK2D | |
| SCHEMBL17870795 | 0.83 | DRD2 (0.44) | GNRHRCYP3A4DRD2MALT1CAMK2D | |
| SCHEMBL28644183 | 0.83 | GNRHR (0.35) | GNRHRCYP3A4IDO1PDPK1CCNB2 |
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-107428744-B | Novel heterocyclic compounds and their use in medicine and cosmetics | 盖尔德马研究及发展公司 | 2021-09-24 | — | — | CN | disclosed |