Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3990343 | 0.94 | CYP1A2 (0.57) | CYP1A2ALDH1A1TSHRPPARGFAAH | |
| SCHEMBL5333967 | 0.90 | CYP1A2 (0.58) | CYP1A2ALDH1A1TSHRPPARGFAAH | |
| SCHEMBL18339149 | 0.90 | CYP1A2 (0.58) | CYP1A2ALDH1A1TSHRPPARGFAAH | |
| SCHEMBL17987905 | 0.89 | CYP1A2 (0.49) | CYP1A2ALDH1A1TSHRPPARG | |
| SCHEMBL2597391 | 0.86 | CYP1A2 (0.66) | CYP1A2ALDH1A1TSHRPPARGFAAH | |
| SCHEMBL3504628 | 0.86 | CYP1A2 (0.45) | CYP1A2PPARG | |
| SCHEMBL31048000 | 0.86 | CYP1A2 (0.66) | CYP1A2ALDH1A1TSHRPPARGFAAH | |
| SCHEMBL4321439 | 0.86 | CYP1A2 (0.45) | CYP1A2PPARG | |
| SCHEMBL4314353 | 0.86 | CYP1A2 (0.45) | CYP1A2PPARG | |
| SCHEMBL31047999 | 0.86 | CYP1A2 (0.66) | CYP1A2ALDH1A1TSHRPPARGFAAH |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013097424-A1 | MARINE STREPTOMYCES SP., COMPOUND OF PYRANOSESQUITERPENES AND PREPARATION METHOD AND USE THEREOF | 中国科学院南海海洋研究所 (CN) | 2013-07-04 | — | — | WO | disclosed |
| CN-102533600-A | Marine streptomyces/pyranosesquiterpene compound and preparation method and application thereof | SOUTH CHINA SEA INST OCEANOLOG | 2012-07-04 | — | — | CN | disclosed |