Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.39 |
| ▸ | HTR3B | O95264 | 2/20 | 0.39 |
| ▸ | HTR3A | P46098 | 2/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7975657 | 1.00 | CYP2D6 (0.39) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7973796 | 0.74 | HTR3E (0.40) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7973793 | 0.74 | HTR3E (0.40) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7265701 | 0.73 | HTR3A (0.49) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL6139012 | 0.73 | HTR3A (0.49) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9472450 | 0.73 | HTR3A (0.49) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9871559 | 0.73 | HTR3A (0.49) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7484945 | 0.68 | HTR3A (0.47) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL7267112 | 0.68 | HTR3E (0.45) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7273067 | 0.68 | HTR3E (0.45) | 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-6274623-B1 | DI- OR POLY-ALKOXY-OR ACYLOXY-SUBSTITUTED ARALKYL AND ARAKENYL QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC AMINOALKANOL DIESTERS SUCH AS BIS(N-(3,4-DIPROPIONYLOXY-BENZYL)GRANATANINIUM-3-ALPHA-YL)ADIPATE DIBROMIDE | NEWLAXANT LLC | 2001-08-14 | — | — | US | disclosed |
| US-5990124-A | ALKOXY AND/OR ACYLOXY DI- AND POLY-SUBSTITUTED ARALKYL AND ARALKENYL BIS-QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS; SUCH AS BIS(N-(4-ACETOXY-3-METHOXYBENZYL) TROPANIUM-3-YL)-3,6-ENDOMETHYLENE-1,2,3,6-TETRAHYDROPHTHALATE | GYERMEK LASZLO (US) | 1999-11-23 | — | — | US | disclosed |