Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.37 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | NOS2 | P35228 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5234651 | 0.87 | MT-CO2 (0.35) | SLC6A3MT-CO2SLC6A2LMNAHTT | |
| SCHEMBL7479440 | 0.85 | MT-CO2 (0.46) | MT-CO2LMNAHTTMEN1PLA2G1B | |
| SCHEMBL7479568 | 0.85 | MT-CO2 (0.46) | MT-CO2LMNAHTTMEN1PLA2G1B | |
| SCHEMBL27597529 | 0.81 | MEN1 (0.42) | SMN1; SMN2HTTMEN1PLA2G1BKMT2A | |
| SCHEMBL6139041 | 0.81 | MEN1 (0.42) | SMN1; SMN2HTTMEN1PLA2G1BKMT2A | |
| SCHEMBL8909415 | 0.80 | KMT2A (0.40) | TSHRLMNAHTTMEN1PLA2G1B | |
| SCHEMBL27824592 | 0.80 | HTT (0.35) | SLC6A3MT-CO2SMN1; SMN2LMNAHTT | |
| SCHEMBL8380101 | 0.80 | KMT2A (0.45) | SMN1; SMN2LMNAHTTMEN1PLA2G1B | |
| SCHEMBL8414853 | 0.79 | NOS3 (0.44) | SMN1; SMN2NOS3NOS1NOS2 | |
| SCHEMBL9617379 | 0.79 | KMT2A (0.54) | SMN1; SMN2MCHR1NOS2LMNAHTT |
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-2001085696-A1 | BUTENOIC ACIDS DERIVATIVES AND THEIR USE IN THE TREATMENT OF RHINITIS | NOVARTIS AG (CH) | 2001-11-15 | — | — | WO | disclosed |