Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8172271 | 0.81 | PTGS2 (0.33) | KDM4EALDH1A1PTGS2NPC1RAB9A | |
| SCHEMBL9586893 | 0.81 | CYP2A6 (0.40) | KDM4EALDH1A1LMNAPTGS1PTGS2 | |
| SCHEMBL3132305 | 0.80 | MEN1 (0.37) | ALDH1A1RAB9AMEN1KMT2AHPGD | |
| SCHEMBL27431758 | 0.77 | HRH3 (0.43) | — | |
| SCHEMBL27933553 | 0.75 | APP (0.44) | KDM4EALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL30541683 | 0.74 | APP (0.43) | KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL31571399 | 0.73 | NPC1 (0.34) | ALDH1A1NPC1SMN1; SMN2 | |
| SCHEMBL5132966 | 0.72 | NOTUM (0.37) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL10950612 | 0.71 | MAPK14 (0.79) | MAPK14KDM4EALDH1A1PTGS1PTGS2 | |
| SCHEMBL14398163 | 0.71 | KEAP1 (0.39) | KDM4EALDH1A1LMNAMEN1KMT2A |
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-2010129848-A2 | 2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXAMIDES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-11-11 | — | — | WO | disclosed |
| WO-2008005651-A2 | CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS | DECODE CHEMISTRY, INC. (US) | 2008-01-10 | — | — | WO | disclosed |