Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.55 |
| ▸ | HTR3B | O95264 | 2/20 | 0.55 |
| ▸ | HTR3A | P46098 | 2/20 | 0.55 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.55 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.55 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | NOS3 | P29474 | 2/20 | 0.43 |
| ▸ | NOS1 | P29475 | 2/20 | 0.43 |
| ▸ | NOS2 | P35228 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL11388504 | 1.00 | HTR3E (0.55) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL11388494 | 1.00 | HTR3E (0.55) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL15441160 | 0.85 | HTR3E (0.48) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL9926089 | 0.85 | HTR3E (0.48) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL11920132 | 0.85 | HTR3E (0.48) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL11416043 | 0.83 | POLB (0.53) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL6547698 | 0.81 | ESR1 (0.75) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL9926242 | 0.78 | ESR1 (0.44) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL8842531 | 0.78 | ALDH1A1 (0.36) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL11574278 | 0.78 | NOS3 (0.42) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2012151141-A2 | A FACILE PREPARATION OF 4-SUBSTITUTED QUINAZOLINES AND RELATED HETEROCYCLES | UNIVERSITY OF HOUSTON SYSTEM (US) | 2012-11-08 | — | — | WO | disclosed |