Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.61 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.51 |
| ▸ | NCF1 | P14598 | 2/20 | 0.51 |
| ▸ | HTR6 | P50406 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.48 |
| ▸ | HTR3B | O95264 | 1/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.48 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.48 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6529921 | 0.81 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CLK4TSHR | |
| SCHEMBL3741028 | 0.73 | HTR6 (0.53) | CYP1A2CYP3A4CYP2D6CLK4TSHR | |
| SCHEMBL6529923 | 0.72 | NPY5R (0.46) | CYP1A2CYP3A4CYP2D6CLK4TSHR | |
| SCHEMBL29088253 | 0.72 | ADORA2A (0.47) | CYP1A2CYP3A4CYP2D6CLK4TSHR | |
| SCHEMBL12215220 | 0.72 | MEN1 (0.70) | CYP1A2CYP3A4CYP2D6CLK4TSHR | |
| SCHEMBL30059025 | 0.72 | MEN1 (0.70) | CYP1A2CYP3A4CYP2D6CLK4TSHR | |
| SCHEMBL5787058 | 0.71 | ALDH1A1 (0.69) | CYP1A2CYP3A4CYP2D6CLK4TSHR | |
| SCHEMBL3738992 | 0.71 | TOP1 (0.61) | CYP1A2CYP3A4CYP2D6CLK4TSHR | |
| SCHEMBL28610794 | 0.70 | HSD17B10 (0.67) | CYP1A2CYP3A4CYP2D6CLK4TSHR | |
| SCHEMBL6770354 | 0.70 | ADRB1 (0.56) | CYP1A2CYP3A4CYP2D6CLK4TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005087742-A1 | METABOLIC KINASE MODULATORS AND METHODS OF USE AS PESTICIDES | EXELIXIS, INC. (US) | 2005-09-22 | — | — | WO | claimed |
| WO-2005087742-A1 | METABOLIC KINASE MODULATORS AND METHODS OF USE AS PESTICIDES | EXELIXIS, INC. (US) | 2005-09-22 | — | — | WO | disclosed |