Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.55 |
| ▸ | HTR3B | O95264 | 1/20 | 0.55 |
| ▸ | PLAU | P00749 | 1/20 | 0.55 |
| ▸ | HTR3A | P46098 | 1/20 | 0.55 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.55 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 4/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 2/20 | 0.47 |
| ▸ | NOS1 | P29475 | 4/20 | 0.46 |
| ▸ | NOS3 | P29474 | 3/20 | 0.46 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | NOS2 | P35228 | 2/20 | 0.44 |
| ▸ | BLM | P54132 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8398110 | 0.81 | MEN1 (0.66) | HTR3EHTR3BPLAUHTR3AHTR3D | |
| SCHEMBL11379923 | 0.81 | HTR3E (0.52) | HTR3EHTR3BPLAUHTR3AHTR3D | |
| SCHEMBL11379922 | 0.81 | HTR3E (0.52) | HTR3EHTR3BPLAUHTR3AHTR3D | |
| SCHEMBL15717660 | 0.81 | ESR2 (0.71) | HTR3EHTR3BPLAUHTR3AHTR3D | |
| SCHEMBL6546543 | 0.81 | SLC22A2 (0.55) | ESR1ESR2RAB9ALMNAPRSS1 | |
| SCHEMBL4450591 | 0.79 | ESR2 (0.74) | HTR3EHTR3BPLAUHTR3AHTR3D | |
| SCHEMBL28735779 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHRNPC1RAB9AKIF11 | |
| SCHEMBL8494070 | 0.77 | GRIN2B (0.54) | HTR3EHTR3BPLAUHTR3AHTR3D | |
| SCHEMBL12336908 | 0.77 | ESR2 (0.78) | HTR3EHTR3BPLAUHTR3AHTR3D | |
| SCHEMBL15542419 | 0.76 | ESR1 (0.50) | HTR3EHTR3BHTR3AHTR3DHTR3C |
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-117777127-A | Chiral tetrahydro-beta-carboline derivative and preparation method and application thereof | 中山大学 | 2024-03-29 | — | — | CN | disclosed |