Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 6/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAT2A | P31153 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL432071 | 0.81 | PDE5A (0.62) | HTR3AHRH4PDE5ANPC1ALDH1A1 | |
| SCHEMBL432072 | 0.75 | CSF1R (0.56) | PDE5A | |
| SCHEMBL11468990 | 0.74 | PIK3CG (0.47) | HTR3ACYP3A4MAPK1HSD17B10NPC1 | |
| SCHEMBL3598923 | 0.73 | HTR3A (0.57) | HTR3AHRH4MAP4K4MAT2AALDH1A1 | |
| SCHEMBL9720019 | 0.68 | NPC1 (0.39) | HTR3ACYP1A2CYP3A4CYP2D6MAPK1 | |
| SCHEMBL27051340 | 0.67 | TNF (0.46) | HTR3AHRH4MAP4K4TDP1MAT2A | |
| SCHEMBL30727448 | 0.67 | TNF (0.46) | HTR3AHRH4MAP4K4TDP1MAT2A | |
| SCHEMBL5192498 | 0.65 | NISCH (0.41) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5595291 | 0.65 | EGFR (0.42) | MAPK1TDP1PDE5AALDH1A1 | |
| SCHEMBL14475876 | 0.64 | CYP1A2 (0.65) | MAP4K4CYP1A2CYP3A4CYP2D6CYP2C9 |
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-2008104776-A1 | COMBINATIONS OF BETA-2-ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE | ASTRAZENECA AB (SE) | 2008-09-04 | — | — | WO | disclosed |