Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 4/20 | 0.50 |
| ▸ | HTR7 | P34969 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | HTR3A | P46098 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14060534 | 0.71 | ADRB1 (0.47) | ADRB1HTR7CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6629133 | 0.70 | HTR6 (0.49) | ADRB1HTR7CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL15637369 | 0.68 | CYP2A6 (0.43) | KMT2AHSD17B10TDP1LMNA | |
| SCHEMBL29446047 | 0.68 | ADRB1 (1.00) | ADRB1HTR7CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5785574 | 0.68 | ADRB1 (1.00) | ADRB1HTR7CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL230424 | 0.68 | ADRB1 (1.00) | ADRB1HTR7CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4318925 | 0.67 | HTR3A (0.49) | ADRB1HTR7CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL29777392 | 0.67 | ADRB1 (0.96) | ADRB1HTR7CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL184663 | 0.67 | ADRB1 (0.96) | ADRB1HTR7CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL6577765 | 0.67 | ADRB1 (0.96) | ADRB1HTR7CYP1A2CYP3A4CYP2D6 |
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-1389194-A2 | INHIBITORS OF BACE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-02-18 | — | — | EP | disclosed |
| WO-2002088101-A2 | INHIBITORS OF BACE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-11-07 | — | — | WO | disclosed |