Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 4/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.56 |
| ▸ | HTR1A | P08908 | 5/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.56 |
| ▸ | DRD1 | P21728 | 5/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.56 |
| ▸ | DRD3 | P35462 | 5/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | BCHE | P06276 | 3/20 | 0.56 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL18905047 | 0.85 | PTGS1 (0.61) | PTGS1PTGS2CYP2D6CHRM2HTR1A | |
| SCHEMBL31302958 | 0.77 | PTGS1 (0.64) | PTGS1PTGS2CYP2D6CHRM2HTR1A | |
| SCHEMBL16316914 | 0.77 | PTGS1 (0.73) | PTGS1PTGS2CYP2D6CHRM2HTR1A | |
| SCHEMBL21660444 | 0.74 | CYP2D6 (0.75) | PTGS1PTGS2CYP2D6CHRM2HTR1A | |
| SCHEMBL29557425 | 0.74 | KDM1A (0.61) | PTGS1PTGS2CYP2D6CHRM2HTR1A | |
| SCHEMBL293951 | 0.74 | KDM1A (0.61) | PTGS1PTGS2CYP2D6CHRM2HTR1A | |
| SCHEMBL11687530 | 0.74 | PTGS1 (0.69) | PTGS1PTGS2CYP2D6CHRM2HTR1A | |
| SCHEMBL10052734 | 0.74 | PTGS1 (0.69) | PTGS1PTGS2CYP2D6CHRM2HTR1A | |
| SCHEMBL31298153 | 0.74 | PTGS1 (1.00) | PTGS1PTGS2CYP2D6CHRM2HTR1A | |
| SCHEMBL7932819 | 0.74 | PTGS1 (0.69) | PTGS1PTGS2CYP2D6CHRM2HTR1A |
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-2014086478-A1 | INHIBITORS OF MALT1 PROTEASE | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2014-06-12 | — | — | WO | disclosed |
| WO-2014086478-A1 | INHIBITORS OF MALT1 PROTEASE | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2014-06-12 | — | — | WO | disclosed |