Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | KDM1A | O60341 | 5/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | APLNR | P35414 | 1/20 | 0.41 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29975448 | 0.77 | ADRA2A (0.51) | HPGDMAOBALDH1A1NPC1CYP2D6 | |
| SCHEMBL4382528 | 0.77 | IDO1 (0.52) | KDM1AMAOAMAOBAPLNRSLC13A5 | |
| SCHEMBL91503 | 0.74 | SLC13A5 (0.50) | KDM1AMAOAMAOBNPC1APLNR | |
| SCHEMBL27531380 | 0.74 | IDO1 (0.50) | HPGDALDH1A1NPC1CYP2D6CYP2C19 | |
| SCHEMBL6376093 | 0.74 | KDM1A (0.50) | KDM1AMAOAMAOBSLC13A5HTR1A | |
| SCHEMBL28795511 | 0.74 | IDO1 (0.50) | HPGDALDH1A1NPC1CYP2D6CYP2C19 | |
| SCHEMBL18440 | 0.73 | MEN1 (0.60) | KDM1AMAOAMAOBALDH1A1NPC1 | |
| SCHEMBL19465 | 0.73 | HTR2A (0.46) | KDM1AMAOAMAOBNPC1CYP2C19 | |
| SCHEMBL18291875 | 0.73 | SLC13A5 (0.49) | KDM1AMAOAMAOBNPC1CYP2C19 | |
| SCHEMBL2960548 | 0.73 | SLC13A5 (0.49) | KDM1AMAOAMAOBALDH1A1APLNR |
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 |
|---|---|---|---|---|---|---|---|
| US-8293919-B2 | Antibacterial sulfone and sulfoxide substituted heterocyclic urea compounds | CRESTONE, INC. (US) | 2012-10-23 | — | — | US | disclosed |