Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30396580 | 0.83 | F2 (0.45) | ALDH1A1ATMMAPTKDM4ETNF | |
| SCHEMBL3689068 | 0.83 | F2 (0.45) | ALDH1A1ATMMAPTKDM4ETNF | |
| SCHEMBL4477726 | 0.83 | JAK2 (0.39) | ALDH1A1MAPK1ATMMAPTKDM4E | |
| SCHEMBL1666483 | 0.82 | NTSR1 (0.52) | ALDH1A1ATMMAPTTNFMAOA | |
| SCHEMBL4483940 | 0.82 | ATM (0.43) | ALDH1A1ATMMAPTKDM4ETNF | |
| SCHEMBL20037218 | 0.82 | TDP1 (0.53) | ALDH1A1MAPK1ATMMAPTLMNA | |
| SCHEMBL29138523 | 0.82 | MTNR1A (0.56) | ALDH1A1ATMMAPTKDM4ETNF | |
| SCHEMBL20037274 | 0.82 | ALDH1A1 (0.50) | ALDH1A1ATMKDM4EPPARDPPARA | |
| SCHEMBL4485443 | 0.82 | NTSR1 (0.52) | ALDH1A1MAPK1ATMLMNAMEN1 | |
| SCHEMBL19778028 | 0.81 | KMT2A (0.57) | ALDH1A1TP53PPARDPPARAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018011747-A1 | POLYCYCLIC COMPOUNDS AS ROR-GAMMA MODULATORS | CADILA HEALTHCARE LIMITED (IN) | 2018-01-18 | — | — | WO | disclosed |