Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 3/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | TERT | O14746 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 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 | |
|---|---|---|---|---|
| SCHEMBL11596663 | 0.90 | ESR2 (0.36) | ESR2HTR2CTP53CYP1A2HTR1A | |
| SCHEMBL28339895 | 0.80 | PDK2 (0.37) | ESR2PDK2PDK4HTR1ADRD2 | |
| SCHEMBL5428628 | 0.80 | ESR2 (0.48) | ESR2ALDH1A1HPGDALOX15SMN1; SMN2 | |
| SCHEMBL28428015 | 0.80 | ESR2 (0.48) | ESR2ALDH1A1HPGDALOX15SMN1; SMN2 | |
| Methane SCHEMBL27694970 | 0.78 | ESR2 (0.47) | ESR2ALDH1A1HPGDALOX15SMN1; SMN2 | |
| SCHEMBL11158793 | 0.78 | HTR1A (0.34) | HTR2CHTR1ADRD2 | |
| SCHEMBL29340943 | 0.75 | NOTUM (0.40) | PDK2PDK4CHRNB2CHRNA4 | |
| SCHEMBL11460125 | 0.74 | ESR2 (0.50) | ESR2ALDH1A1HPGDALOX15SMN1; SMN2 | |
| SCHEMBL1536668 | 0.72 | HDAC4 (0.40) | ALDH1A1ALOX15HSD17B10CYP1A2 | |
| SCHEMBL9638052 | 0.72 | HSPA5 (0.46) | ALDH1A1HSD17B10CYP1A2 |
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-6767949-B1 | REDUCING AGENT COMPRISING PHOSPHORUS COMPOUND, SULFUR COMPOUND OR ETHYLENICALLY UNSATURATED CYCLIC COMPOUND; DISCOLORATION INHIBITION | CIBA SPECIALTY CHEMICALS CORPORATION | 2004-07-27 | — | — | US | disclosed |