Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | HSPA5 | P11021 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.40 |
| ▸ | ATP2A3 | Q93084 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 4/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7867607 | 0.93 | ALOX15 (0.45) | CYP2C9CYP2C19ALOX15TP53CYP2D6 | |
| SCHEMBL27494856 | 0.85 | CYP2C9 (0.50) | CYP2C9CYP2C19ALOX15TP53CYP2D6 | |
| SCHEMBL18262901 | 0.85 | HSPA5 (0.46) | CYP2C9CYP2C19ALOX15TP53CYP2D6 | |
| SCHEMBL18272070 | 0.84 | ESR1 (0.37) | CYP2C9CYP2C19ALOX15TP53CYP2D6 | |
| SCHEMBL5181980 | 0.82 | TYR (0.43) | CYP2C9CYP2C19ALOX15TP53CYP2D6 | |
| SCHEMBL18176656 | 0.80 | HMGCR (0.41) | CYP2C9CYP2C19ALOX15TP53CYP2D6 | |
| SCHEMBL23387419 | 0.80 | HMGCR (0.45) | CYP2C9CYP2C19ALOX15CYP2D6CYP1A2 | |
| SCHEMBL9142981 | 0.80 | ALOX5 (0.46) | CYP2C9CYP2C19ALOX15TP53CYP2D6 | |
| SCHEMBL21035036 | 0.78 | CYP2C9 (0.56) | CYP2C9CYP2C19ALOX15TP53CYP2D6 | |
| SCHEMBL13842565 | 0.78 | HMGCR (0.53) | CYP2C9CYP2C19ALOX15CYP2D6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016190871-A1 | 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS | TANSNA THERAPEUTICS, INC. (US) | 2016-12-01 | — | — | WO | disclosed |