Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | CNR2 | P34972 | 6/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | STAT3 | P40763 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL209882 | 0.84 | ALDH1A1 (0.71) | ALDH1A1HSD17B10HPGDKDM4EPOLB | |
| SCHEMBL31283651 | 0.84 | ALDH1A1 (0.71) | ALDH1A1HSD17B10HPGDKDM4EPOLB | |
| SCHEMBL4434941 | 0.81 | ALDH1A1 (0.66) | ALDH1A1HSD17B10HPGDKDM4EPOLB | |
| SCHEMBL63778 | 0.79 | ALDH1A1 (0.73) | ALDH1A1HSD17B10HPGDKDM4EPOLB | |
| SCHEMBL13271450 | 0.79 | ALDH1A1 (0.60) | ALDH1A1HSD17B10HPGDKDM4EPOLB | |
| SCHEMBL19160257 | 0.78 | ALDH1A1 (0.71) | ALDH1A1HSD17B10HPGDKDM4EPOLB | |
| SCHEMBL357927 | 0.78 | ALDH1A1 (0.71) | ALDH1A1HSD17B10HPGDKDM4EPOLB | |
| SCHEMBL2974981 | 0.78 | ALDH1A1 (0.71) | ALDH1A1HSD17B10HPGDKDM4EPOLB | |
| Hydrochloric Acid SCHEMBL19119306 | 0.78 | ALDH1A1 (0.71) | ALDH1A1HSD17B10HPGDKDM4EPOLB | |
| SCHEMBL243892 | 0.78 | ALDH1A1 (0.71) | ALDH1A1HSD17B10HPGDKDM4EPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3672951-B1 | QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2023-08-30 | — | — | EP | disclosed |
| EP-3305900-B1 | ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES | NUEVOLUTION AS (DK) | 2021-07-21 | — | — | EP | disclosed |