Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 3/20 | 0.32 |
| ▸ | TDO2 | P48775 | 3/20 | 0.32 |
| ▸ | IDO2 | Q6ZQW0 | 2/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | PNMT | P11086 | 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 | |
|---|---|---|---|---|
| SCHEMBL419410 | 0.81 | VKORC1 (0.49) | VKORC1TYRMEN1KMT2ACYP2D6 | |
| SCHEMBL3766411 | 0.75 | VKORC1 (0.37) | VKORC1CYP1A2CYP2A6RAB9ATYR | |
| SCHEMBL9770025 | 0.74 | VKORC1 (0.41) | VKORC1TYRMEN1KMT2ACYP2D6 | |
| SCHEMBL11302263 | 0.73 | ALDH1A1 (0.46) | VKORC1NPC1RAB9ATYRMEN1 | |
| SCHEMBL9782879 | 0.71 | L3MBTL1 (0.42) | VKORC1TYRMEN1KMT2A | |
| SCHEMBL10491803 | 0.71 | VKORC1 (0.41) | VKORC1TYRMEN1KMT2A | |
| SCHEMBL5507568 | 0.71 | VKORC1 (0.41) | VKORC1CYP1A2TYRMEN1KMT2A | |
| SCHEMBL29173278 | 0.68 | KMT2A (0.38) | VKORC1TYRMEN1KMT2A | |
| SCHEMBL9782878 | 0.68 | MEN1 (0.44) | VKORC1CYP1A2CYP2A6TYRMEN1 | |
| SCHEMBL5246910 | 0.67 | TSHR (0.44) | VKORC1TYRKMT2ACYP2D6 |
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-20120076930-A1 | Chemiluminescent Aerosol Spray | MILLER HARRIS RICHARD (US) | 2012-03-29 | — | — | US | disclosed |