Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.55 |
| ▸ | ESR1 | P03372 | 6/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | AVPR1B | P47901 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4308399 | 0.90 | HRH3 (0.51) | KMT2AKDM4EALDH1A1HRH3ESR1 | |
| SCHEMBL2089343 | 0.80 | KDM4E (0.68) | KMT2AKDM4EALDH1A1NPSR1HRH3 | |
| SCHEMBL2089469 | 0.79 | KDM4E (0.66) | KMT2AKDM4EALDH1A1NPSR1HRH3 | |
| SCHEMBL4307512 | 0.78 | CDYL2 (0.48) | KMT2AKDM4EALDH1A1POLBMAPT | |
| SCHEMBL4313102 | 0.77 | CDYL2 (0.52) | KMT2AKDM4EALDH1A1ESR1POLB | |
| Pribecaine SCHEMBL2111245 | 0.77 | NPSR1 (0.84) | KMT2AKDM4EALDH1A1NPSR1HRH3 | |
| SCHEMBL2812004 | 0.76 | KMT2A (0.62) | KMT2AKDM4EALDH1A1NPSR1HRH3 | |
| SCHEMBL4304188 | 0.76 | NPSR1 (0.53) | KMT2AKDM4EALDH1A1NPSR1HRH3 | |
| SCHEMBL4302800 | 0.74 | CDYL2 (0.49) | KMT2AKDM4EALDH1A1POLBMAPT | |
| SCHEMBL8022961 | 0.74 | NPC1 (0.45) | KMT2AKDM4EALDH1A1POLBMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009130231-A1 | PYRROLO [1, 2-A] PYRAZINE DERIVATIVES AS VASOPRESSIN VIB RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2009-10-29 | — | — | WO | disclosed |
| WO-2009130231-A1 | PYRROLO [1, 2-A] PYRAZINE DERIVATIVES AS VASOPRESSIN VIB RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2009-10-29 | — | — | WO | disclosed |