Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.55 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.55 |
| ▸ | HTR3B | O95264 | 1/20 | 0.55 |
| ▸ | HTR3A | P46098 | 1/20 | 0.55 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.55 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 3/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL19505630 | 0.92 | ESR1 (0.60) | NOS3HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL17017261 | 0.92 | ESR2 (0.66) | NOS3HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL24105688 | 0.90 | ESR2 (0.61) | NOS3HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL30951898 | 0.88 | ESR2 (0.59) | NOS3HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL5608124 | 0.83 | NPC1 (0.51) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL12629405 | 0.83 | NOS3 (0.58) | NOS3HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL3179816 | 0.83 | NOS3 (0.58) | NOS3HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL15136973 | 0.83 | NOS3 (0.58) | NOS3HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL11522898 | 0.81 | NOS3 (0.52) | NOS3HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8815637 | 0.81 | NOS3 (0.52) | NOS3HTR3EHTR3BHTR3AHTR3D |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130253185-A1 | NOVEL CATALYSTS | DALHOUSIE UNIVERSITY (CA) | 2013-09-26 | — | — | US | disclosed |
| EP-1100774-B1 | IMPROVED ARYLAMINE SYNTHESIS | MASSACHUSETTS INST TECHNOLOGY (US) | 2004-01-21 | — | — | EP | disclosed |
| US-6323366-B1 | ACTIVATED ARYL GROUP AND AN IMINE GROUP ARE COMBINED, IN THE PRESENCE OF A TRANSITION METAL CATALYST FOR FORMATION OF A CARBON-NITROGEN BOND BETWEEN THE ACTIVATED CARBON OF THE ARENE AND IMINE NITROGEN; CONVERTING TO ARYLAMINE | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2001-11-27 | — | — | US | disclosed |
| EP-1100774-A1 | IMPROVED ARYLAMINE SYNTHESIS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000005199-A1 | IMPROVED ARYLAMINE SYNTHESIS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2000-02-03 | — | — | WO | disclosed |