Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 6/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | HTR5A | P47898 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5553500 | 0.82 | HTR2C (0.42) | SLC6A4SLC6A2SLC6A3CYP2D6HTR3E | |
| SCHEMBL14831356 | 0.82 | HTR2C (0.42) | SLC6A4SLC6A2SLC6A3CYP2D6HTR3E | |
| Hydrochloric Acid SCHEMBL15173335 | 0.81 | HTR2C (0.41) | SLC6A4SLC6A2SLC6A3CYP2D6PKM | |
| SCHEMBL2336871 | 0.79 | RIPK1 (0.40) | HTR2AHTR2CHTR2BMAOAMAOB | |
| SCHEMBL2337017 | 0.78 | DPP4 (0.40) | KDM4EHTR2AHTR2CHTR2BMAOB | |
| SCHEMBL3846428 | 0.77 | HTR2C (0.48) | HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL8691595 | 0.77 | SLC6A2 (0.44) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL31581033 | 0.77 | HTR3A (0.44) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL19066025 | 0.76 | MAOA (0.44) | KDM4EHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL12806784 | 0.76 | SLC6A2 (0.51) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 |
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-117658992-A | Benzimidazole compound, preparation method and pharmaceutical application thereof | 中国医学科学院药物研究所 | 2024-03-08 | — | — | CN | disclosed |