Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.58 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.57 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.46 |
| ▸ | CHRNG | P07510 | 1/20 | 0.46 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | CHRND | Q07001 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19707514 | 0.87 | TDP1 (0.51) | SLC6A2SLC6A3SLC6A4TAS1R3TAS1R1 | |
| SCHEMBL634167 | 0.83 | SLC6A2 (0.49) | SLC6A2SLC6A3SLC6A4HPGDPARP1 | |
| SCHEMBL19707680 | 0.83 | BCL2 (0.42) | SLC6A2SLC6A3SLC6A4TAS1R3TAS1R1 | |
| SCHEMBL2823791 | 0.81 | SLC6A2 (0.53) | SLC6A2SLC6A3TDP1MAPTATM | |
| SCHEMBL4935875 | 0.81 | SLC6A2 (0.53) | SLC6A2SLC6A3TDP1MAPTATM | |
| SCHEMBL6164320 | 0.80 | LOXL2 (0.48) | SLC6A2SLC6A3SLC6A4TAS1R3TAS1R1 | |
| SCHEMBL4937398 | 0.80 | SLC6A3 (0.54) | SLC6A2SLC6A3SLC6A4HPGDTDP1 | |
| SCHEMBL13425656 | 0.79 | PARP1 (0.57) | SLC6A2SLC6A3SLC6A4TAS1R3TAS1R1 | |
| SCHEMBL19707606 | 0.79 | TAS1R3 (0.61) | TAS1R3TAS1R1ALDH1A1MEN1KMT2A | |
| SCHEMBL19707529 | 0.79 | GSK3B (0.66) | SLC6A2SLC6A3SLC6A4ALDH1A1 |
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-2017214505-A1 | CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE | BIOMARIN PHARMACEUTICAL INC. (US) | 2017-12-14 | — | — | WO | disclosed |