Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNRHR | P30968 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 5/20 | 0.36 |
| ▸ | CA1 | P00915 | 5/20 | 0.36 |
| ▸ | CA2 | P00918 | 5/20 | 0.36 |
| ▸ | CA9 | Q16790 | 5/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL422715 | 0.91 | GNRHR (0.41) | GNRHRCYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL13259046 | 0.87 | GNRHR (0.48) | GNRHRCYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL13259054 | 0.85 | GNRHR (0.43) | GNRHRCYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL13259190 | 0.82 | ALDH1A1 (0.42) | GNRHRMAPTBRD4ALDH1A1GFER | |
| SCHEMBL421179 | 0.81 | GNRHR (0.43) | GNRHRCYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL11388838 | 0.81 | BRD4 (0.45) | GNRHRCYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL420597 | 0.81 | GNRHR (0.48) | GNRHRCYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL422853 | 0.81 | GNRHR (0.50) | GNRHRCYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL28322512 | 0.76 | CA1 (0.42) | GNRHRMAPTCA12CA1CA2 | |
| SCHEMBL791306 | 0.72 | CA2 (0.56) | MAPTCA12CA1CA2CA9 |
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-2010093425-A1 | HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF | SEPRACOR INC. (US) | 2010-08-19 | — | — | WO | disclosed |