Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | GBA1 | P04062 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 5/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | MGAM | O43451 | 1/20 | 0.30 |
| ▸ | SI | P14410 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6776722 | 0.97 | TSHR (0.43) | TSHRGBA1CYP3A4MGAMSI | |
| SCHEMBL14724930 | 0.95 | — | — | |
| SCHEMBL31645312 | 0.95 | — | — | |
| SCHEMBL2579684 | 0.95 | — | — | |
| SCHEMBL14261873 | 0.95 | — | — | |
| SCHEMBL2579686 | 0.95 | — | — | |
| SCHEMBL898744 | 0.95 | — | — | |
| SCHEMBL13895032 | 0.83 | — | — | |
| SCHEMBL783748 | 0.83 | — | — | |
| SCHEMBL760227 | 0.83 | — | — |
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 |