Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.48 |
| ▸ | HTR1A | P08908 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | CCR4 | P51679 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6545410 | 0.86 | ADORA2A (0.50) | ADORA2AADORA1NPC1ALDH1A1CYP3A4 | |
| SCHEMBL28302902 | 0.83 | S1PR4 (0.52) | PTGS1PTGS2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11881284 | 0.82 | ADORA2A (0.45) | ADORA2AADORA1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11543918 | 0.81 | SLC6A2 (0.47) | PTGS1PTGS2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4797448 | 0.80 | GRM2 (0.42) | PTGS1PTGS2SLC6A2SLC6A4HTR1A | |
| SCHEMBL4797458 | 0.80 | ADORA2A (0.43) | SLC6A2SLC6A4HTR1AKMT2AMEN1 | |
| SCHEMBL2657071 | 0.78 | NPC1 (0.50) | SLC6A2SLC6A4SLC6A3HTR1AKMT2A | |
| SCHEMBL2084341 | 0.77 | ADORA2A (0.51) | PTGS1PTGS2SLC6A2SLC6A4ADORA2A | |
| SCHEMBL1436765 | 0.77 | HPGD (0.59) | PTGS1PTGS2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9340516 | 0.76 | NR1I2 (0.46) | PTGS1PTGS2SLC6A2SLC6A4SLC6A3 |
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-2024138040-A1 | METHODS OF TREATMENT WITH TRADIPITANT | VANDA PHARMACEUTICALS INC. (US) | 2024-06-27 | — | — | WO | disclosed |