Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | DGKA | P23743 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | MGAM | O43451 | 1/20 | 0.48 |
| ▸ | SI | P14410 | 1/20 | 0.48 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6253597 | 0.98 | CYP1A2 (0.57) | CYP1A2ALDH1A1ALOX15TDP1CYP3A4 | |
| SCHEMBL3947515 | 0.95 | CYP1A2 (0.59) | CYP1A2ALDH1A1ALOX15TDP1CYP3A4 | |
| SCHEMBL25616349 | 0.88 | CYP1A2 (0.61) | CYP1A2ALDH1A1ALOX15TDP1CYP3A4 | |
| SCHEMBL4382341 | 0.88 | CYP1A2 (0.61) | CYP1A2ALDH1A1ALOX15TDP1CYP3A4 | |
| SCHEMBL11356300 | 0.88 | CYP1A2 (0.61) | CYP1A2ALDH1A1ALOX15TDP1CYP3A4 | |
| SCHEMBL8570508 | 0.88 | CYP1A2 (0.73) | CYP1A2ALDH1A1ALOX15TDP1CYP3A4 | |
| SCHEMBL50610 | 0.88 | CYP1A2 (0.73) | CYP1A2ALDH1A1ALOX15TDP1CYP3A4 | |
| SCHEMBL6413180 | 0.86 | CYP1A2 (0.64) | CYP1A2ALDH1A1ALOX15TDP1CYP3A4 | |
| SCHEMBL135579 | 0.86 | GAA (0.52) | CYP1A2ALDH1A1ALOX15TDP1TSHR | |
| SCHEMBL33870 | 0.85 | CYP1A2 (0.70) | CYP1A2ALDH1A1ALOX15TDP1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-217450115-U | Production system of 8-chloro-6-oxo-ethyl octanoate | 上海橡实化学有限公司 | 2022-09-20 | — | — | CN | disclosed |
| CN-217450115-U | Production system of 8-chloro-6-oxo-ethyl octanoate | 上海橡实化学有限公司 | 2022-09-20 | — | — | CN | disclosed |
| WO-2008087611-A2 | PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2008-07-24 | — | — | WO | disclosed |