Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.84 |
| ▸ | CASP1 | P29466 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | THRB | P10828 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL29977912 | 0.92 | — | — | |
| SCHEMBL33278 | 0.92 | — | — | |
| Methylamine SCHEMBL11811795 | 0.89 | ALDH1A1 (0.94) | ALDH1A1CASP1TSHRCYP3A4PDE10A | |
| Hydrochloric Acid SCHEMBL2868848 | 0.89 | ALDH1A1 (0.94) | ALDH1A1CASP1TSHRCYP3A4PDE10A | |
| SCHEMBL11529106 | 0.89 | ALDH1A1 (0.94) | ALDH1A1CASP1TSHRCYP3A4PDE10A | |
| Ammonia Solution, Strong SCHEMBL28824371 | 0.89 | ALDH1A1 (0.94) | ALDH1A1CASP1TSHRCYP3A4PDE10A | |
| Hydrochloric Acid SCHEMBL31458347 | 0.89 | ALDH1A1 (0.94) | ALDH1A1CASP1TSHRCYP3A4PDE10A | |
| Hydrochloric Acid SCHEMBL27923555 | 0.89 | ALDH1A1 (0.94) | ALDH1A1CASP1TSHRCYP3A4PDE10A | |
| SCHEMBL8913073 | 0.82 | ALDH1A1 (0.80) | ALDH1A1CASP1TSHRCYP3A4PDE10A | |
| Nitrogen SCHEMBL11325714 | 0.81 | ALDH1A1 (0.70) | ALDH1A1CASP1TSHRCYP3A4PDE10A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110115365-A | The adjusting that actinism receptor and relative ligand are carried out | 西诺米克斯公司 | 2019-08-13 | — | — | CN | disclosed |
| CN-101779124-B | Modulation of chemosensory receptors and ligands associated therewith | 西诺米克斯公司 | 2017-12-12 | — | — | CN | disclosed |
| CN-107365319-A | The regulation carried out to actinism acceptor and relative part | 西诺米克斯公司 | 2017-11-21 | — | — | CN | disclosed |
| CN-104995173-A | Nitrogen-containing heterocyclic compound | KYOWA HAKKO KIRIN CO LTD | 2015-10-21 | — | — | CN | disclosed |
| CN-101779124-A | modulation of chemosensory receptors and ligands associated therewith | SENOMYX INC | 2010-07-14 | — | — | CN | disclosed |