Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | PDE5A | O76074 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RAD52 | P43351 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11336836 | 1.00 | KCNH3 (0.35) | KCNH3TDP1CYP3A4TBXAS1ESR1 | |
| SCHEMBL11346082 | 1.00 | KCNH3 (0.35) | KCNH3TDP1CYP3A4TBXAS1ESR1 | |
| SCHEMBL11343073 | 1.00 | KCNH3 (0.35) | KCNH3TDP1CYP3A4TBXAS1ESR1 | |
| SCHEMBL11333065 | 1.00 | KCNH3 (0.35) | KCNH3TDP1CYP3A4TBXAS1ESR1 | |
| SCHEMBL11340576 | 1.00 | KCNH3 (0.35) | KCNH3TDP1CYP3A4TBXAS1ESR1 | |
| SCHEMBL11343369 | 0.98 | TDP1 (0.36) | KCNH3TDP1CYP3A4ESR1ESR2 | |
| SCHEMBL684881 | 0.91 | TDP1 (0.38) | KCNH3TDP1CYP3A4ESR1ESR2 | |
| SCHEMBL689027 | 0.89 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2HTT | |
| SCHEMBL240779 | 0.89 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2HTT | |
| SCHEMBL7164452 | 0.89 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2HTT |
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-4296042-A | Preparation of unsaturated aliphatic insect pheromones using cyclic phosphonium ylids | SYNTEX (U.S.A.) INC. (US) | 1981-10-20 | — | — | US | disclosed |