Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.48 |
| ▸ | CCR8 | P51685 | 1/20 | 0.48 |
| ▸ | GRM5 | P41594 | 4/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | THPO | P40225 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Ethyne SCHEMBL27584909 | 0.93 | CCR1 (0.50) | CCR1CCR8GRM5NOS3NOS2 | |
| SCHEMBL103431 | 0.93 | — | — | |
| SCHEMBL29692491 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL7258648 | 0.90 | — | — | |
| SCHEMBL2180402 | 0.90 | — | — | |
| Formaldehyde SCHEMBL28001630 | 0.86 | GRM5 (0.50) | CCR1CCR8GRM5NOS3NOS2 | |
| SCHEMBL28306091 | 0.84 | GRM5 (0.49) | CCR1CCR8GRM5NOS3NOS2 | |
| Cyanide SCHEMBL27966830 | 0.82 | CCR1 (0.60) | CCR1CCR8GRM5NOS3NOS2 | |
| Formic Acid SCHEMBL28212456 | 0.80 | GRM5 (0.50) | CCR1CCR8GRM5NOS3NOS2 | |
| SCHEMBL1846388 | 0.80 | GRM5 (0.43) | CCR1CCR8GRM5NOS3NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106117213-A | Heteroaryl compound and synthesis thereof and purification process | 西格诺药品有限公司 | 2016-11-16 | — | — | CN | disclosed |