Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 5/20 | 0.49 |
| ▸ | HTR1A | P08908 | 4/20 | 0.49 |
| ▸ | HTR7 | P34969 | 4/20 | 0.49 |
| ▸ | HTR2A | P28223 | 2/20 | 0.49 |
| ▸ | HTR5A | P47898 | 2/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.45 |
| ▸ | CETP | P11597 | 1/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.41 |
| ▸ | HTR3B | O95264 | 4/20 | 0.41 |
| ▸ | HTR3A | P46098 | 4/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6651306 | 0.73 | HTR6 (0.48) | HTR6HTR1AHTR7HTR2AHTR5A | |
| SCHEMBL5045086 | 0.70 | HTR7 (0.58) | HTR6HTR1AHTR7HTR2AHTR5A | |
| SCHEMBL6629128 | 0.70 | ADRB1 (0.50) | HTR6HTR1AHTR7HTR2AHTR5A | |
| SCHEMBL17634233 | 0.69 | HTR7 (0.56) | HTR6HTR1AHTR7HTR2AHTR5A | |
| SCHEMBL4915187 | 0.67 | HTR7 (0.73) | HTR6HTR1AHTR7HTR2AHTR5A | |
| SCHEMBL3759275 | 0.66 | HTR7 (1.00) | HTR6HTR1AHTR7HTR2AHTR5A | |
| SCHEMBL30022433 | 0.66 | HTR7 (1.00) | HTR6HTR1AHTR7HTR2AHTR5A | |
| SCHEMBL6651301 | 0.66 | HTR6 (0.44) | HTR6HTR1AHTR7HTR2AHTR5A | |
| SCHEMBL6650883 | 0.66 | HTR7 (0.59) | HTR6HTR1AHTR7HTR2AHTR5A | |
| SCHEMBL7591669 | 0.66 | HTR7 (0.67) | HTR6HTR1AHTR7HTR2AHTR5A |
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 |