Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PRCP | P42785 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9374419 | 0.87 | CYP3A4 (0.42) | CYP3A4MEN1CYP2D6ALOX15CYP2C19 | |
| Hydrochloric Acid SCHEMBL6021932 | 0.85 | CYP3A4 (0.41) | CYP3A4MEN1CYP2D6ALOX15CYP2C19 | |
| Hydrochloric Acid SCHEMBL9376448 | 0.84 | OPRM1 (0.41) | CYP3A4MEN1CYP2D6ALOX15CYP2C19 | |
| Hydrochloric Acid SCHEMBL9377127 | 0.83 | HTR2A (0.41) | CYP3A4MEN1CYP2D6ALOX15CYP2C19 | |
| Hydrochloric Acid SCHEMBL9375136 | 0.83 | CYP3A4 (0.38) | CYP3A4MEN1CYP2D6ALOX15CYP2C19 | |
| Hydrochloric Acid SCHEMBL9374439 | 0.81 | ATM (0.44) | — | |
| SCHEMBL19565427 | 0.81 | ALDH1A1 (0.36) | CYP3A4ALOX12HSD17B10 | |
| SCHEMBL19454255 | 0.80 | DRD2 (0.41) | CYP3A4ALOX12HSD17B10 | |
| Hydrochloric Acid SCHEMBL9375331 | 0.78 | EDNRB (0.44) | CYP3A4MEN1CYP2D6ALOX15CYP2C19 | |
| SCHEMBL19439341 | 0.77 | KDM1A (0.41) | KDM1AHTR2A |
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-109219604-A | Tetrahydroisoquinoline estrogenic agents and application thereof | 豪夫迈·罗氏有限公司 | 2019-01-15 | — | — | CN | disclosed |