Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2822360 | 0.83 | PARP1 (0.50) | CYP4F2CYP4A11F10KMT2AHSD17B1 | |
| SCHEMBL4402199 | 0.77 | TDP1 (0.46) | NOS1CYP2D6NOS3NOS2LMNA | |
| SCHEMBL9671720 | 0.75 | TDP1 (0.44) | NOS1CYP4F2CYP4A11CYP2D6NOS3 | |
| SCHEMBL19929597 | 0.75 | KEAP1 (0.53) | — | |
| SCHEMBL14207821 | 0.74 | SMYD3 (0.44) | PRSS1PRSS2PRSS3LOXL2CYP4F2 | |
| SCHEMBL2181233 | 0.73 | LPL (0.43) | NOS1CYP4F2CYP4A11TDP1KMT2A | |
| SCHEMBL9860710 | 0.73 | LPL (0.43) | NOS1CYP4F2CYP4A11TDP1KMT2A | |
| SCHEMBL25442753 | 0.72 | PRSS1 (0.37) | NOS1PRSS1PRSS2PRSS3LOXL2 | |
| SCHEMBL6614812 | 0.72 | CYP4A11 (0.73) | LOXL2CYP4F2CYP4A11KMT2A | |
| SCHEMBL7899949 | 0.72 | MAOB (0.61) | NOS1LMNATDP1TAAR1 |
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-2010097172-A1 | NEW TETRAHYDROPYRAZOLO[3,4-C]ISOQUINOLIN-5-AMINE DERIVATIVES | ALMIRALL, S.A. (ES) | 2010-09-02 | — | — | WO | disclosed |