Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6819861 | 0.76 | SIGMAR1 (0.49) | ALDH1A1SIGMAR1 | |
| SCHEMBL21758314 | 0.75 | FKBP1A (0.45) | ALDH1A1MAPTHPGDNPSR1HSD17B10 | |
| SCHEMBL28878129 | 0.73 | ALDH1A1 (0.43) | ALDH1A1MAPTHPGDNPSR1HSD17B10 | |
| SCHEMBL21553747 | 0.72 | FKBP1A (0.52) | ALDH1A1MAPTHPGDNPSR1HSD17B10 | |
| SCHEMBL21553748 | 0.72 | FKBP1A (0.52) | ALDH1A1MAPTHPGDNPSR1HSD17B10 | |
| SCHEMBL1440209 | 0.71 | ALDH1A1 (0.46) | ALDH1A1MAPTHPGDNPSR1HSD17B10 | |
| SCHEMBL13657453 | 0.71 | HTR2C (0.46) | ALDH1A1MAPTNPSR1FKBP1ACYP3A4 | |
| SCHEMBL2069105 | 0.69 | GRIN2B (0.54) | DRD4 | |
| SCHEMBL12696580 | 0.69 | GRIN2B (0.54) | DRD4 | |
| SCHEMBL22117717 | 0.69 | NR1H2 (0.52) | DRD4TSHR |
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-112739698-A | Tetrahydropyrimidine derivatives as AHR modulators | 捷豹治疗有限公司 | 2021-04-30 | — | — | CN | disclosed |