Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.43 |
| ▸ | HTR3B | O95264 | 2/20 | 0.43 |
| ▸ | HTR3A | P46098 | 2/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.43 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.43 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.43 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5490413 | 0.87 | ADRA2A (0.32) | NOS3NOS1ADRA2AADRA2BADRA2C | |
| SCHEMBL8750708 | 0.78 | TDP1 (0.40) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL7790448 | 0.76 | HTR3A (0.43) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL1720891 | 0.75 | ALDH1A1 (0.41) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL7794055 | 0.74 | SCN5A (0.44) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL10775857 | 0.74 | HTR3E (0.50) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL14346069 | 0.73 | ESR2 (0.42) | TDP1ACHESMN1; SMN2NPC1MAPT | |
| P-Xylene SCHEMBL109385 | 0.73 | ACHE (0.61) | TDP1ACHESMN1; SMN2MAPTGAA | |
| P-Xylene SCHEMBL28856424 | 0.73 | ACHE (0.61) | TDP1ACHESMN1; SMN2MAPTGAA | |
| SCHEMBL5609745 | 0.72 | ACHE (0.44) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1150963-A1 | SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | Aventis Pharma Deutschland GmbH (DE) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000046214-A1 | SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2000-08-10 | — | — | WO | disclosed |