Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL4729790 | 0.82 | ALDH1A1 (0.46) | TSHRMEN1KMT2AALDH1A1GSK3A | |
| SCHEMBL4727354 | 0.82 | PIM1 (0.41) | TSHRL3MBTL1HTR7MEN1KMT2A | |
| SCHEMBL5768086 | 0.78 | HTR1A (0.58) | TDP1NR2E1HRH3HTR2AHTR7 | |
| SCHEMBL4782386 | 0.75 | HTR1A (0.66) | — | |
| SCHEMBL11413078 | 0.66 | CYP1A2 (0.69) | TDP1NR2E1TSHRHTR2AHTR6 | |
| SCHEMBL7846002 | 0.65 | ALDH1A1 (0.44) | TSHRMEN1KMT2AALDH1A1GSK3A | |
| SCHEMBL7635264 | 0.65 | PIM1 (0.64) | L3MBTL1ALDH1A1GSK3AGSK3B | |
| SCHEMBL11553112 | 0.65 | TSHR (0.57) | TDP1NR2E1TSHRL3MBTL1HRH3 | |
| SCHEMBL7841647 | 0.65 | HTR1A (0.61) | HTR2AHTR7HTR6CYP1A2HTR1B | |
| SCHEMBL5679175 | 0.64 | HTR1B (0.58) | TDP1NR2E1HRH3HTR2AHTR7 |
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-2008015538-A2 | USE OF DIAZA- AND THIAZA-CYCLOALKANEDIONES FOR PREVENTING AND/OR TREATING PAIN AND /OR MIGRAINE | SCHWARZ PHARMA S.L. (ES) | 2008-02-07 | — | — | WO | claimed |
| WO-2008015538-A2 | USE OF DIAZA- AND THIAZA-CYCLOALKANEDIONES FOR PREVENTING AND/OR TREATING PAIN AND /OR MIGRAINE | SCHWARZ PHARMA S.L. (ES) | 2008-02-07 | — | — | WO | disclosed |