Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.68 |
| ▸ | HTR3E | A5X5Y0 | 5/20 | 0.68 |
| ▸ | HTR3B | O95264 | 5/20 | 0.68 |
| ▸ | HTR3A | P46098 | 5/20 | 0.68 |
| ▸ | HTR3D | Q70Z44 | 5/20 | 0.68 |
| ▸ | HTR3C | Q8WXA8 | 5/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | MTOR | P42345 | 2/20 | 0.68 |
| ▸ | GMNN | O75496 | 1/20 | 0.68 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.68 |
| ▸ | GAA | P10253 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.61 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL7654509 | 1.00 | CYP2D6 (0.68) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL10635123 | 0.85 | CYP2D6 (0.66) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL6507167 | 0.84 | HTR3E (0.66) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL6507170 | 0.84 | HTR3E (0.66) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL5789235 | 0.83 | CYP2D6 (0.71) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL5789236 | 0.83 | CYP2D6 (0.71) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL5787520 | 0.82 | HTR3E (0.59) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7652481 | 0.81 | HTR3A (0.75) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7652475 | 0.81 | HTR3A (0.75) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| Bemesetron SCHEMBL10765684 | 0.81 | CYP2D6 (1.00) | CYP2D6HTR3EHTR3BHTR3AHTR3D |
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 |
|---|---|---|---|---|---|---|---|
| US-6376510-B1 | ADMINISTERING A ALKOXY- AND ACYLOXY-SUBSTITUTED ARALKYL AND ARALKENYL BIS QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS TO A HUMAN AS MUSCLE RELAXANTS | NEWLAXANT LLC | 2002-04-23 | — | — | US | disclosed |
| US-6274757-B1 | REACTING AN HYDROXY AMINE CORRESPONDING COMPOUND WITH DICHLORO COMPOUND | NEWLAXANT LLC | 2001-08-14 | — | — | US | disclosed |