Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15764681 | 0.78 | NPSR1 (0.35) | CYP1A2NPSR1KDM4E | |
| SCHEMBL28983033 | 0.77 | CYP1A2 (0.44) | CYP1A2NPSR1KDM4EALDH1A1TDP1 | |
| SCHEMBL15764684 | 0.75 | NPSR1 (0.38) | NPSR1ALDH1A1 | |
| SCHEMBL15859172 | 0.74 | CYP1A2 (0.53) | CYP1A2TDP1 | |
| SCHEMBL17892811 | 0.72 | CYP1A2 (0.45) | CYP1A2NPSR1KDM4EALDH1A1TDP1 | |
| SCHEMBL234128 | 0.72 | CYP1A2 (0.45) | CYP1A2KDM4EALDH1A1TDP1 | |
| SCHEMBL17916096 | 0.72 | NPSR1 (0.32) | CYP1A2NPSR1ALDH1A1 | |
| SCHEMBL632817 | 0.70 | CYP1A2 (0.46) | CYP1A2KDM4EALDH1A1TDP1 | |
| SCHEMBL26620596 | 0.69 | CYP1A2 (0.39) | CYP1A2NPSR1KDM4EALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL27282843 | 0.68 | CYP1A2 (0.44) | CYP1A2KDM4EALDH1A1TDP1 |
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-8747535-B1 | Solid ink compositions comprising crystalline-amorphous mixtures | XEROX CORPORATION (US) | 2014-06-10 | — | — | US | disclosed |