Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.54 |
| ▸ | HTR1A | P08908 | 9/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HTR1D | P28221 | 7/20 | 0.49 |
| ▸ | HTR1B | P28222 | 7/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14160299 | 0.87 | HTR1A (0.65) | HTR2AHTR1AHTR1DHTR1BMEN1 | |
| Hydrochloric Acid SCHEMBL27517910 | 0.86 | HTR1A (0.68) | HTR2AHTR1AHTR2CHTR1DHTR1B | |
| SCHEMBL398434 | 0.83 | HTR2A (0.51) | HTR2AHTR1AHTR2CHTR1DHTR1B | |
| SCHEMBL5484715 | 0.83 | HTR2A (0.51) | HTR2AHTR1AHTR2CHTR1DHTR1B | |
| SCHEMBL397322 | 0.80 | HTR2A (0.50) | HTR2AHTR1AHTR2CHTR1DHTR1B | |
| SCHEMBL5497322 | 0.80 | HTR2A (0.50) | HTR2AHTR1AHTR2CHTR1DHTR1B | |
| SCHEMBL13715930 | 0.80 | HTR2A (0.61) | HTR2AHTR1AHTR2CHTR1DHTR1B | |
| SCHEMBL24243686 | 0.80 | HTR2A (0.67) | HTR2AHTR1AHTR2CHTR1DHTR1B | |
| SCHEMBL14310876 | 0.79 | CHRNB2 (0.68) | HTR2AHTR1AHTR2CHTR1DHTR1B | |
| SCHEMBL1576211 | 0.79 | HTR2A (0.68) | HTR2AHTR1AHTR2CHTR1DHTR1B |
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-1974212-A1 | COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH | Vertex Pharmaceuticals Incorporated (US) | 2008-10-01 | — | — | EP | disclosed |
| WO-2007075946-A1 | COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-07-05 | — | — | WO | disclosed |