Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11982656 | 0.89 | KDM4E (0.46) | RECQLGAARAB9AKDM4EPOLB | |
| SCHEMBL11982627 | 0.86 | RECQL (0.44) | RECQLTSHRGAARAB9AKDM4E | |
| SCHEMBL8242243 | 0.81 | KDM4E (0.49) | RECQLGAARAB9AKDM4EPOLB | |
| SCHEMBL8239502 | 0.78 | MPL (0.51) | GAARAB9AKDM4EPOLBHTT | |
| SCHEMBL11966043 | 0.78 | GRM5 (0.62) | — | |
| SCHEMBL11982732 | 0.77 | RECQL (0.53) | RECQLTSHRGAARAB9AKDM4E | |
| SCHEMBL8239387 | 0.77 | GAA (0.43) | RECQLGAARAB9AKDM4EPOLB | |
| SCHEMBL11982667 | 0.77 | RAB9A (0.52) | GAARAB9AKDM4EPOLBHTT | |
| SCHEMBL8232401 | 0.77 | CYP19A1 (0.47) | RECQLTSHRGAARAB9AKDM4E | |
| SCHEMBL11982626 | 0.76 | MAPT (0.51) | RECQLGAAMAPT |
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-2380889-A2 | Thiazolyl MGLUR5 antagonists and methods for their use | Merck Sharp & Dohme Corp. (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2007050050-A2 | THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE | MERCK & CO., INC. (US) | 2007-05-03 | — | — | WO | disclosed |