Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 13/20 | 0.59 |
| ▸ | CES1 | P23141 | 12/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31478191 | 0.90 | CES2 (0.59) | CES2CES1ALDH1A1MAPTRAB9A | |
| SCHEMBL348321 | 0.86 | AKR1C1 (0.53) | CES2CES1ALDH1A1MAPTAKR1C1 | |
| SCHEMBL3039305 | 0.86 | AKR1C1 (0.53) | CES2CES1ALDH1A1MAPTAKR1C1 | |
| SCHEMBL3039302 | 0.86 | AKR1C1 (0.53) | CES2CES1ALDH1A1MAPTAKR1C1 | |
| SCHEMBL14764079 | 0.84 | CES1 (0.48) | CES2CES1ALDH1A1MAPTAKR1C1 | |
| SCHEMBL6971325 | 0.84 | CES1 (0.44) | CES2CES1ALDH1A1MAPTAKR1C1 | |
| SCHEMBL10062280 | 0.82 | CES2 (0.57) | CES2CES1ALDH1A1MAPTEGFR | |
| SCHEMBL1028536 | 0.82 | MAPT (0.45) | CES2CES1ALDH1A1MAPTAKR1C1 | |
| SCHEMBL16246414 | 0.82 | MAPT (0.45) | CES2CES1ALDH1A1MAPTAKR1C1 | |
| SCHEMBL6558529 | 0.82 | AKR1C1 (0.46) | CES2CES1ALDH1A1MAPTAKR1C1 |
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-113717036-B | Method for synthesizing alpha, beta-unsaturated ketone by rhodium metal catalytic coupling | 南京工业大学 | 2022-05-27 | — | — | CN | disclosed |
| CN-113717036-A | Method for synthesizing alpha, beta-unsaturated ketone by rhodium metal catalytic coupling | 南京工业大学 | 2021-11-30 | — | — | CN | disclosed |
| WO-2009002276-A1 | PROCESS FOR ALDOL CONDENSATION FOR PREPARATION OF α,β-UNSATURATED ALDEHYDE OR KETONE AND APPLICATION THEREOF IN SYNTHESIS OF SUBSTITUTED PYRROLE OR ARYLATION OF α,β-UNSATURATED ENAL | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2008-12-31 | — | — | WO | disclosed |