Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SHBG | P04278 | 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 | |
|---|---|---|---|---|
| SCHEMBL23812619 | 1.00 | CYP1A2 (0.38) | CYP1A2ALDH1A1SHBG | |
| SCHEMBL27675771 | 1.00 | CYP1A2 (0.38) | CYP1A2ALDH1A1SHBG | |
| SCHEMBL27694261 | 1.00 | CYP1A2 (0.38) | CYP1A2ALDH1A1SHBG | |
| SCHEMBL27694260 | 1.00 | CYP1A2 (0.38) | CYP1A2ALDH1A1SHBG | |
| SCHEMBL28459300 | 1.00 | CYP1A2 (0.38) | CYP1A2ALDH1A1SHBG | |
| SCHEMBL28184251 | 0.98 | ALDH1A1 (0.38) | CYP1A2ALDH1A1 | |
| Tetrahydrofuran SCHEMBL28282002 | 0.95 | CYP1A2 (0.41) | CYP1A2ALDH1A1SHBG | |
| SCHEMBL12993553 | 0.91 | — | — | |
| SCHEMBL19093842 | 0.85 | ALDH1A1 (0.37) | CYP1A2ALDH1A1 | |
| SCHEMBL12630 | 0.85 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100508941-C | Beta-substituted tetrahydropyrans (ketones), method for the synthesis thereof and use thereof | MANE FILS V (FR) | 2009-07-08 | — | — | CN | claimed |
| CN-101001605-A | Beta-substituted tetrahydropyran(on)s and method for the synthesis and the use thereof | MANE FILS V (FR) | 2007-07-18 | — | — | CN | claimed |
| CN-100508941-C | Beta-substituted tetrahydropyrans (ketones), method for the synthesis thereof and use thereof | MANE FILS V (FR) | 2009-07-08 | — | — | CN | disclosed |
| CN-101001605-A | Beta-substituted tetrahydropyran(on)s and method for the synthesis and the use thereof | MANE FILS V (FR) | 2007-07-18 | — | — | CN | disclosed |