Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 3/20 | 0.35 |
| ▸ | CASP7 | P55210 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18644592 | 0.95 | ALDH1A1 (0.38) | ALDH1A1GAAHSD17B10MAPTHTR7 | |
| SCHEMBL19751510 | 0.89 | ALDH1A1 (0.49) | ALDH1A1GAAHSD17B10MAPTHTR7 | |
| SCHEMBL25612956 | 0.85 | HTR1D (0.39) | ALDH1A1GAAHSD17B10MAPTHTR2B | |
| SCHEMBL17257527 | 0.77 | HTR7 (0.37) | ALDH1A1GAAHSD17B10MAPTHTR7 | |
| SCHEMBL18644562 | 0.77 | PARP1 (0.38) | ALDH1A1GAAHSD17B10MAPTKMT2A | |
| SCHEMBL3001705 | 0.75 | MAP3K14 (0.41) | ALDH1A1GAAHSD17B10MAPTKMT2A | |
| SCHEMBL15828689 | 0.74 | MAPT (0.41) | ALDH1A1GAAHSD17B10MAPTHTR2B | |
| SCHEMBL18644586 | 0.72 | PARP1 (0.38) | ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL19751547 | 0.71 | ALDH1A1 (0.46) | ALDH1A1GAAHSD17B10MAPTHTR7 | |
| SCHEMBL17348514 | 0.71 | ADRA2A (0.44) | ALDH1A1GAAHSD17B10MAPTFFAR4 |
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-2017042182-A1 | TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2017-03-16 | — | — | WO | disclosed |