Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.47 |
| ▸ | IDO1 | P14902 | 4/20 | 0.39 |
| ▸ | TDO2 | P48775 | 4/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19967304 | 0.82 | HSP90AA1 (0.49) | IDO1TDO2KCNN4RAB9ATDP1 | |
| SCHEMBL19953169 | 0.79 | CYP3A4 (0.43) | GPBAR1IDO1TDO2PDE2APDE10A | |
| SCHEMBL1076208 | 0.77 | HSP90AA1 (0.45) | IDO1TDO2RAB9ACYP11B1CYP11B2 | |
| SCHEMBL19952995 | 0.73 | HCAR1 (0.40) | KCNN4PDE2APDE10AHCAR1CYP11B2 | |
| SCHEMBL9473672 | 0.67 | NOTUM (0.43) | GPBAR1IDO1TDO2TDP1HCAR1 | |
| SCHEMBL19953054 | 0.67 | IDO1 (0.39) | IDO1TDO2 | |
| SCHEMBL19953116 | 0.66 | HSP90AA1 (0.43) | GPBAR1 | |
| SCHEMBL30349922 | 0.66 | ALDH1A1 (0.44) | GPBAR1RAB9ATDP1HCAR1 | |
| SCHEMBL19953047 | 0.65 | HSP90AA1 (0.45) | CYP11B1CYP11B2 | |
| SCHEMBL19953125 | 0.64 | CYP11B2 (0.37) | GPBAR1IDO1TDO2CYP11B2 |
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-2018048969-A1 | MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-03-15 | — | — | WO | disclosed |