Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL1R1 | P14778 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | HTR6 | P50406 | 10/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9393123 | 0.98 | ALDH1A1 (0.49) | IL1R1ALDH1A1MEN1MAPTHTT | |
| SCHEMBL518267 | 0.78 | HTR6 (0.48) | HTR2ATAAR1HTR6HTR1DHTR1B | |
| SCHEMBL23120674 | 0.70 | MAPT (0.51) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| SCHEMBL27935661 | 0.68 | IL1R1 (0.44) | IL1R1ALDH1A1MEN1MAPTHTT | |
| SCHEMBL3378325 | 0.68 | IL1R1 (0.47) | IL1R1ALDH1A1MEN1MAPTHTT | |
| SCHEMBL7614103 | 0.68 | IL1R1 (0.47) | IL1R1ALDH1A1MEN1MAPTHTT | |
| SCHEMBL335711 | 0.68 | GPR3 (0.52) | IL1R1ALDH1A1MEN1MAPTHTT | |
| SCHEMBL6602716 | 0.68 | IL1R1 (0.47) | IL1R1ALDH1A1MEN1MAPTHTT | |
| SCHEMBL4539613 | 0.67 | IL1R1 (0.43) | IL1R1ALDH1A1MEN1MAPTHTT | |
| SCHEMBL17537729 | 0.67 | TAAR1 (0.54) | MAPTHTR2ATAAR1HTR6SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | disclosed |
| CN-1282743-A | New beta-carbiline compounds, their preparation method and medicine composition conterning same | ADIR (FR) | 2001-02-07 | — | — | CN | disclosed |