Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | HTR2C | P28335 | 2/20 | 0.50 |
| ▸ | HTR2B | P41595 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12355697 | 0.88 | FYN (0.50) | CYP1A2HTR2CHTR2BADRA2AMAOA | |
| SCHEMBL5582685 | 0.84 | MCHR1 (0.54) | CYP1A2HTR2CHTR2BADRA2AMAOA | |
| SCHEMBL2250545 | 0.82 | CYP1A2 (0.46) | CYP1A2HTR2CHTR2BADRA2AMAOA | |
| SCHEMBL8706424 | 0.82 | PPID (0.43) | CYP1A2HTR2CHTR2BADRA2AMAOA | |
| SCHEMBL2246315 | 0.82 | CYP1A2 (0.54) | CYP1A2HTR2CHTR2BADRA2AMAOA | |
| SCHEMBL2246016 | 0.80 | CYP1A2 (0.44) | CYP1A2HTR2CHTR2BADRA2AMAOA | |
| SCHEMBL8669883 | 0.79 | CA1 (0.60) | CYP1A2HTR2CHTR2BADRA2AMAOA | |
| SCHEMBL23519580 | 0.78 | HTR2C (0.50) | CYP1A2HTR2CHTR2BADRA2AMAOA | |
| SCHEMBL25086307 | 0.78 | HTR2C (0.50) | CYP1A2HTR2CHTR2BADRA2AMAOA | |
| SCHEMBL2249768 | 0.78 | HTR2C (0.50) | CYP1A2HTR2CHTR2BADRA2AMAOA |
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 |
|---|---|---|---|---|---|---|---|
| US-7989451-B2 | Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-08-02 | — | — | US | disclosed |