Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 7/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7969541 | 0.90 | SLC18A3 (0.49) | SLC18A3SIGMAR1ESR1CYP3A4CYP2C9 | |
| SCHEMBL7969540 | 0.90 | SLC18A3 (0.49) | SLC18A3SIGMAR1ESR1CYP3A4CYP2C9 | |
| SCHEMBL1626055 | 0.84 | SLC18A3 (0.47) | SLC18A3SIGMAR1CYP3A4CYP2C9AKR1C3 | |
| SCHEMBL1625737 | 0.84 | SLC18A3 (0.47) | SLC18A3SIGMAR1CYP3A4CYP2C9AKR1C3 | |
| SCHEMBL1625735 | 0.84 | SLC18A3 (0.47) | SLC18A3SIGMAR1CYP3A4CYP2C9AKR1C3 | |
| SCHEMBL7641532 | 0.82 | SLC18A3 (0.46) | SLC18A3SIGMAR1CYP3A4CYP2C9GRIN2B | |
| SCHEMBL8029813 | 0.77 | SLC18A3 (0.56) | SLC18A3SIGMAR1ESR1CYP3A4CYP2C9 | |
| SCHEMBL26999319 | 0.77 | SLC18A3 (0.56) | SLC18A3SIGMAR1ESR1CYP3A4CYP2C9 | |
| SCHEMBL8029809 | 0.77 | SLC18A3 (0.56) | SLC18A3SIGMAR1ESR1CYP3A4CYP2C9 | |
| SCHEMBL715645 | 0.74 | ESR1 (0.53) | ESR1CYP3A4CYP2C9ESR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6215031-B1 | REDUCING 3-FORMYLCYCLOALKANONE OR 3-FORMYLCYCLOALKENONE;3-HYDROXYMETHYL-5,5-DIMETHYLCYCLOHEXANOL | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-10 | — | — | US | claimed |
| US-6215031-B1 | REDUCING 3-FORMYLCYCLOALKANONE OR 3-FORMYLCYCLOALKENONE;3-HYDROXYMETHYL-5,5-DIMETHYLCYCLOHEXANOL | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-10 | — | — | US | disclosed |
| EP-0895980-A1 | 3-HYDROXYMETHYLCYCLOALKANOLS AND PROCESS FOR PRODUCING THEM | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-02-10 | — | — | EP | disclosed |