Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.62 |
| ▸ | HTR3B | O95264 | 1/20 | 0.62 |
| ▸ | HTR3A | P46098 | 1/20 | 0.62 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.62 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.62 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.60 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | NOS3 | P29474 | 2/20 | 0.51 |
| ▸ | NOS1 | P29475 | 2/20 | 0.51 |
| ▸ | NOS2 | P35228 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 5/20 | 0.50 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL5608124 | 0.86 | NPC1 (0.51) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL11378646 | 0.83 | HTR3E (0.58) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL11378649 | 0.83 | HTR3E (0.58) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Hydrochloric Acid SCHEMBL11776533 | 0.82 | TAAR1 (0.69) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL9370892 | 0.81 | HTR3E (0.55) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL9370900 | 0.81 | HTR3E (0.55) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL6548684 | 0.80 | NOS3 (0.55) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL19505630 | 0.80 | ESR1 (0.60) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL12077531 | 0.77 | MEN1 (0.59) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL2944424 | 0.77 | HTR3E (1.00) | 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 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 |