Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.67 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.59 |
| ▸ | ABHD6 | Q9BV23 | 3/20 | 0.54 |
| ▸ | TMEM97 | Q5BJF2 | 7/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.53 |
| ▸ | NAMPT | P43490 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL25407569 | 1.00 | ESR2 (0.67) | ESR2NR1H2ABHD6TMEM97SIGMAR1 | |
| SCHEMBL31070584 | 0.91 | ABHD6 (0.64) | ESR2NR1H2ABHD6TMEM97SIGMAR1 | |
| SCHEMBL3873145 | 0.90 | ABHD6 (0.65) | ESR2NR1H2ABHD6TMEM97SIGMAR1 | |
| SCHEMBL15000510 | 0.88 | ESR2 (0.65) | ESR2NR1H2ABHD6TMEM97SIGMAR1 | |
| SCHEMBL38652842 | 0.87 | ABHD6 (0.62) | ESR2NR1H2ABHD6TMEM97SIGMAR1 | |
| SCHEMBL31670515 | 0.87 | ESR2 (0.63) | ESR2NR1H2ABHD6TMEM97SIGMAR1 | |
| SCHEMBL30785602 | 0.87 | ESR2 (0.63) | ESR2NR1H2ABHD6TMEM97SIGMAR1 | |
| SCHEMBL18794493 | 0.86 | ESR2 (0.62) | ESR2NR1H2ABHD6TMEM97SIGMAR1 | |
| SCHEMBL29676853 | 0.86 | ESR2 (0.62) | ESR2NR1H2ABHD6TMEM97SIGMAR1 | |
| SCHEMBL4247475 | 0.86 | TMEM97 (0.61) | ESR2NR1H2TMEM97SIGMAR1NAMPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-118742543-A | Dihydro isoquinoline compound and medical application thereof | 中国科学院上海药物研究所 | 2024-10-01 | — | — | CN | disclosed |
| CN-116789641-A | Dihydro isoquinoline compound and medical application thereof | 中国科学院上海药物研究所 | 2023-09-22 | — | — | CN | disclosed |