Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 2/20 | 0.42 |
| ▸ | TACR1 | P25103 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | CETP | P11597 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | RHOC | P08134 | 1/20 | 0.36 |
| ▸ | RHOA | P61586 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6417300 | 0.88 | TACR2 (0.43) | TACR2TACR1ALDH1A1CETPCNR1 | |
| SCHEMBL6410700 | 0.81 | GAA (0.54) | ALDH1A1GAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6412758 | 0.78 | ALDH1A1 (0.56) | ALDH1A1GAA | |
| SCHEMBL6412106 | 0.76 | GAA (0.46) | ALDH1A1GAATP53 | |
| SCHEMBL6414932 | 0.76 | MAPT (0.47) | ALDH1A1GAANPC1FFAR1 | |
| SCHEMBL6417286 | 0.75 | L3MBTL1 (0.49) | ALDH1A1GAACNR2 | |
| SCHEMBL6412336 | 0.75 | TSHR (0.63) | ALDH1A1GAASMN1; SMN2TP53 | |
| SCHEMBL6417824 | 0.74 | ALDH1A1 (0.50) | ALDH1A1GAAFFAR1 | |
| SCHEMBL6413218 | 0.74 | HSD17B10 (0.47) | ALDH1A1GAANPC1FFAR1 | |
| SCHEMBL6419707 | 0.74 | TSHR (0.43) | ALDH1A1GAATP53 |
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-2004004727-A1 | 3,4-DIHYDROISOQUINOLIN-1-ONE DERIVATIVES AS INDUCERS OF APOPTOSIS | AXYS PHARMACEUTICALS, INC. (US) | 2004-01-15 | — | — | WO | claimed |