Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 9/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4866324 | 0.87 | ALDH1A1 (0.50) | CTSBHTTMAPTALDH1A1CYP1A2 | |
| SCHEMBL3643443 | 0.86 | CYP1A2 (0.52) | CTSBHTTMAPTALDH1A1CYP1A2 | |
| SCHEMBL8692030 | 0.84 | SIRT6 (0.52) | HTTMAPTALDH1A1CYP1A2LMNA | |
| SCHEMBL24130664 | 0.83 | HTR3A (0.50) | MAPTALDH1A1LMNASMN1; SMN2MAPK1 | |
| Hydrochloric Acid SCHEMBL30481714 | 0.82 | MAPT (0.51) | MAPTALDH1A1LMNASMN1; SMN2MAPK1 | |
| SCHEMBL27888685 | 0.81 | CTSB (0.57) | CTSBHTTMAPTALDH1A1CYP1A2 | |
| SCHEMBL2206983 | 0.81 | CTSB (0.68) | CTSBHTTMAPTALDH1A1CYP1A2 | |
| SCHEMBL30779614 | 0.81 | CTSB (0.68) | CTSBHTTMAPTALDH1A1CYP1A2 | |
| SCHEMBL24130778 | 0.80 | HTT (0.53) | HTTMAPTALDH1A1CYP1A2LMNA | |
| SCHEMBL11398153 | 0.79 | HTT (0.54) | CTSBHTTMAPTALDH1A1LMNA |
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-2010125103-A1 | DIKETOPIPERAZINE DERIVATIVES AS P2X7 MODULATORS | GLAXO GROUP LIMITED (GB) | 2010-11-04 | — | — | WO | disclosed |