Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 5/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 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 | |
|---|---|---|---|---|
| Methoxyacetic Acid SCHEMBL7964609 | 0.83 | CYP2C19 (0.50) | CYP2C19HPGDALDH1A1PKMMEN1 | |
| Methyl Alcohol SCHEMBL11407062 | 0.82 | CYP2C19 (0.55) | CYP2C19HPGDALDH1A1PKMMEN1 | |
| SCHEMBL621289 | 0.82 | — | — | |
| SCHEMBL11405212 | 0.80 | CYP2C19 (0.53) | CYP2C19HPGDALDH1A1PKMMEN1 | |
| SCHEMBL10484325 | 0.80 | CYP2C19 (0.57) | CYP2C19HPGDALDH1A1PKMMEN1 | |
| Hydrochloric Acid SCHEMBL1372448 | 0.80 | CYP2C19 (0.57) | CYP2C19HPGDALDH1A1PKMMEN1 | |
| SCHEMBL9285235 | 0.80 | CYP2C19 (0.57) | CYP2C19HPGDALDH1A1PKMMEN1 | |
| Fluoride SCHEMBL27971505 | 0.80 | CYP2C19 (0.57) | CYP2C19HPGDALDH1A1PKMMEN1 | |
| Methane SCHEMBL7760510 | 0.80 | CYP2C19 (0.57) | CYP2C19HPGDALDH1A1PKMMEN1 | |
| SCHEMBL28515022 | 0.80 | CYP2C19 (0.57) | CYP2C19HPGDALDH1A1PKMMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6359061-B1 | COMBINATORIAL LIBRARIES ARE USEFUL FOR SCREENING IN BIOLOGCAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS | ISIS PHARMACEUTICALS, INC. | 2002-03-19 | — | — | US | disclosed |