Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.55 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | NCF1 | P14598 | 4/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.51 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
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 | 0.81 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2D6CLK4TSHR | |
| SCHEMBL31276563 | 0.77 | ACHE (0.48) | CYP1A2CYP3A4CYP2D6CLK4TSHR | |
| SCHEMBL29986314 | 0.74 | ACHE (0.48) | CYP1A2CYP3A4CYP2D6CLK4TSHR | |
| SCHEMBL5787058 | 0.73 | ALDH1A1 (0.69) | CYP1A2CYP3A4CYP2D6CLK4TSHR | |
| Hydrochloric Acid SCHEMBL5790067 | 0.72 | ALDH1A1 (0.67) | CYP1A2CYP3A4CYP2D6CLK4TSHR | |
| SCHEMBL29985840 | 0.71 | ACHE (0.45) | CYP1A2CYP3A4CYP2D6CLK4TSHR | |
| SCHEMBL4302050 | 0.70 | NCF1 (0.47) | CYP1A2CYP3A4CYP2D6CLK4TSHR | |
| SCHEMBL336283 | 0.68 | ADRB1 (0.63) | CYP1A2CYP3A4CYP2D6ADRB1ALDH1A1 | |
| SCHEMBL899675 | 0.68 | NCF1 (1.00) | TSHRNCF1ADRB1ADRB2ALDH1A1 | |
| SCHEMBL4821642 | 0.68 | NCF1 (1.00) | 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 |