Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | AGER | Q15109 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 6/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL287699 | 0.85 | KDM4E (0.57) | KDM4EATMALDH1A1MAPTCYP3A4 | |
| SCHEMBL11298868 | 0.85 | KDM4E (0.49) | KDM4EATMALDH1A1MAPTCYP3A4 | |
| SCHEMBL29601706 | 0.81 | KDM4E (0.46) | KDM4EATMALDH1A1MAPTCYP3A4 | |
| SCHEMBL6902624 | 0.81 | KDM4E (0.46) | KDM4EATMALDH1A1MAPTCYP3A4 | |
| SCHEMBL231896 | 0.81 | MKNK1 (0.56) | KDM4EATMALDH1A1MAPTCYP3A4 | |
| SCHEMBL16025409 | 0.81 | KDM4E (0.42) | KDM4EALDH1A1MAPTCYP3A4ALOX15 | |
| SCHEMBL27040563 | 0.81 | PTPN1 (0.47) | KDM4EATMALDH1A1MAPTCYP3A4 | |
| SCHEMBL30578386 | 0.80 | KDM4E (0.45) | KDM4EATMALDH1A1MAPTCYP3A4 | |
| SCHEMBL28838427 | 0.80 | KMT2A (0.50) | KDM4EATMALDH1A1MAPTCYP3A4 | |
| Bromide SCHEMBL27040125 | 0.80 | PTPN1 (0.46) | KDM4EATMALDH1A1MAPTCYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016106106-A2 | FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-06-30 | — | — | WO | disclosed |