Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 9/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | CCR1 | P32246 | 2/20 | 0.43 |
| ▸ | CCR8 | P51685 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | THPO | P40225 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL5499506 | 0.91 | TDP1 (0.45) | GRM5CYP2A6CCR1CCR8NPC1 | |
| Pyridine SCHEMBL29291035 | 0.89 | NPC1 (0.43) | GRM5CYP2A6CCR1CCR8NPC1 | |
| Pyridine SCHEMBL6864644 | 0.89 | CCR1 (0.52) | GRM5CYP2A6CCR1CCR8SMN1; SMN2 | |
| Pyridine SCHEMBL28335243 | 0.87 | CCR1 (0.50) | GRM5CYP2A6CCR1CCR8SMN1; SMN2 | |
| SCHEMBL16472174 | 0.85 | TSHR (0.43) | GRM5CYP2A6CCR1CCR8NPC1 | |
| Pyrazine SCHEMBL14840433 | 0.84 | NPC1 (0.46) | GRM5CYP2A6CCR1CCR8SMN1; SMN2 | |
| SCHEMBL19540310 | 0.84 | GRM5 (0.48) | GRM5CCR1CCR8SMN1; SMN2NPC1 | |
| Benzene SCHEMBL2937772 | 0.84 | GRM5 (0.48) | GRM5CCR1CCR8SMN1; SMN2NPC1 | |
| Benzene SCHEMBL27712261 | 0.82 | GRM5 (0.47) | GRM5CCR1CCR8SMN1; SMN2NPC1 | |
| Hydrogen Peroxide SCHEMBL9817846 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1893723-A1 | REMOVAL OF NITROGEN COMPOUNDS | JOHNSON MATTHEY PLC (GB) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006136862-A1 | REMOVAL OF NITROGEN COMPOUNDS | JOHNSON MATTHEY PLC (GB) | 2006-12-28 | — | — | WO | disclosed |