Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 3/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 6/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.38 |
| ▸ | CDK9 | P50750 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NCF1 | P14598 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18526218 | 0.81 | PDE4D (0.38) | ADRA1AKDM4EALDH1A1PDE4DMAPT | |
| SCHEMBL18560448 | 0.79 | PDE10A (0.42) | ADRA1AKDM4EALDH1A1HPGDTSHR | |
| SCHEMBL21223166 | 0.79 | ALDH1A1 (0.50) | MCHR1KDM4EALDH1A1HPGDTSHR | |
| SCHEMBL2276722 | 0.77 | HTR1A (0.40) | ADRA1ACCR2PDE4DHTR1A | |
| SCHEMBL21212035 | 0.75 | ADRA1A (0.35) | ADRA1AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL28373026 | 0.75 | ALDH1A1 (0.40) | CCNT1CDK9KDM4EALDH1A1HSD17B10 | |
| SCHEMBL15544691 | 0.75 | BACE1 (0.38) | HSD17B10NCF1CCR2GAAMAPT | |
| SCHEMBL18031206 | 0.75 | NOS3 (0.50) | MCHR1KDM4ETSHRHSD17B10CCR2 | |
| SCHEMBL29698780 | 0.75 | BACE1 (0.38) | HSD17B10NCF1CCR2GAAMAPT | |
| SCHEMBL3771034 | 0.74 | NOS3 (0.54) | MCHR1KDM4EALDH1A1NCF1NPC1 |
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-2010017260-A1 | TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2010-02-11 | — | — | WO | disclosed |
| WO-2009020642-A1 | PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2009-02-12 | — | — | WO | disclosed |