Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.44 |
| ▸ | NCF1 | P14598 | 2/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | PRKCI | P41743 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6529924 | 0.72 | CYP1A2 (0.61) | CYP1A2CYP3A4CLK4CYP2D6TSHR | |
| SCHEMBL6770354 | 0.69 | ADRB1 (0.56) | CYP1A2CYP3A4CLK4CYP2D6TSHR | |
| SCHEMBL12469779 | 0.69 | HTR2C (0.44) | NPY5RCYP1A2CYP3A4CLK4CYP2D6 | |
| SCHEMBL2754180 | 0.69 | HRH4 (0.59) | NPY5RHRH4 | |
| SCHEMBL28610794 | 0.69 | HSD17B10 (0.67) | CYP1A2CYP3A4CLK4CYP2D6TSHR | |
| SCHEMBL31652347 | 0.68 | CYP1A2 (0.72) | CYP1A2CYP3A4CLK4CYP2D6TSHR | |
| SCHEMBL4472647 | 0.68 | CYP1A2 (0.72) | CYP1A2CYP3A4CLK4CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL30222843 | 0.68 | ADRB1 (0.55) | CYP1A2CYP3A4CLK4CYP2D6TSHR | |
| SCHEMBL28111704 | 0.68 | CYP1A2 (0.52) | NPY5RCYP1A2CYP3A4CLK4CYP2D6 | |
| SCHEMBL27637345 | 0.67 | ESR1 (0.47) | CYP1A2CYP3A4TSHRALDH1A1CYP2C19 |
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 |