Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13825080 | 0.77 | HTR2B (0.40) | HTR2CKDM1APOLBSIGMAR1HTR2B | |
| SCHEMBL13651783 | 0.77 | ALDH1A1 (0.39) | ALDH1A1GAAPOLBHTR3EHTR3B | |
| SCHEMBL6872023 | 0.76 | PROKR1 (0.44) | HTR2CGAAACHEHTR3EHTR3B | |
| SCHEMBL19346833 | 0.74 | NOS3 (0.40) | HTR2CKDM1AALDH1A1GAAACHE | |
| SCHEMBL28829972 | 0.73 | KDM1A (0.60) | HTR2CKDM1AGAAACHERCOR1 | |
| SCHEMBL3139821 | 0.71 | PTGDR2 (0.50) | HTR2CALDH1A1CNR2 | |
| SCHEMBL13888944 | 0.71 | MAOB (0.50) | HTR2CKDM1AALDH1A1GAAACHE | |
| SCHEMBL12188964 | 0.71 | MAOB (0.50) | HTR2CKDM1AALDH1A1GAAACHE | |
| SCHEMBL11211077 | 0.70 | MAPT (0.42) | HTR2CALDH1A1GAACA1CA2 | |
| SCHEMBL5584891 | 0.69 | HTR2C (0.59) | HTR2CHTR3EHTR3BHTR3AHTR3D |
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-110003110-B | Aryl beta-aminoketone compound and preparation method thereof | 南京工业大学 | 2022-09-06 | — | — | CN | claimed |