Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.75 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.75 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.57 |
| ▸ | HTR3B | O95264 | 2/20 | 0.57 |
| ▸ | HTR3A | P46098 | 2/20 | 0.57 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.57 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.57 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | NOS3 | P29474 | 2/20 | 0.44 |
| ▸ | NOS1 | P29475 | 2/20 | 0.44 |
| ▸ | NOS2 | P35228 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.40 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL21078200 | 0.84 | ESR1 (0.56) | ESR1ESR2HTR3EHTR3BHTR3A | |
| SCHEMBL11388494 | 0.81 | HTR3E (0.55) | ESR1ESR2HTR3EHTR3BHTR3A | |
| SCHEMBL13726464 | 0.81 | HTR3E (0.55) | ESR1ESR2HTR3EHTR3BHTR3A | |
| SCHEMBL11388504 | 0.81 | HTR3E (0.55) | ESR1ESR2HTR3EHTR3BHTR3A | |
| SCHEMBL16229879 | 0.77 | ESR1 (0.49) | ESR1ESR2HTR3EHTR3BHTR3A | |
| SCHEMBL9373546 | 0.76 | HTR3E (0.50) | ESR1ESR2HTR3EHTR3BHTR3A | |
| SCHEMBL9373550 | 0.76 | HTR3E (0.50) | ESR1ESR2HTR3EHTR3BHTR3A | |
| SCHEMBL11402272 | 0.76 | HTR3E (0.50) | ESR1ESR2HTR3EHTR3BHTR3A | |
| SCHEMBL6500347 | 0.76 | MAPT (0.52) | ESR1ESR2ALDH1A1GAALMNA | |
| SCHEMBL16229878 | 0.75 | ESR1 (0.46) | ESR1ESR2HTR3EHTR3BHTR3A |
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-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 |