Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 3/20 | 0.32 |
| ▸ | PPARG | P37231 | 2/20 | 0.32 |
| ▸ | PPARD | Q03181 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL872657 | 0.94 | ALDH1A1 (0.42) | ALDH1A1CYP2A6KMT2AMEN1CYP1A2 | |
| Benzaldehyde SCHEMBL19924275 | 0.90 | ALDH1A1 (0.47) | ALDH1A1CYP2A6KMT2AMEN1LMNA | |
| Benzaldehyde SCHEMBL531470 | 0.87 | ALDH1A1 (0.44) | ALDH1A1CYP2A6KMT2AMEN1LMNA | |
| Benzaldehyde SCHEMBL4954589 | 0.84 | ALDH1A1 (0.47) | ALDH1A1CYP2A6KMT2AMEN1LMNA | |
| Benzaldehyde SCHEMBL11346796 | 0.84 | ALDH1A1 (0.50) | ALDH1A1CYP2A6KMT2AMEN1LMNA | |
| Benzaldehyde SCHEMBL367504 | 0.84 | ALDH1A1 (0.54) | ALDH1A1CYP2A6KMT2AMEN1LMNA | |
| Sorbitol SCHEMBL1276725 | 0.83 | ALDH1A1 (0.40) | ALDH1A1CYP2A6KMT2AMEN1LMNA | |
| Cinnamic Aldehyde SCHEMBL121945 | 0.81 | ALDH1A1 (0.49) | ALDH1A1KMT2AMEN1LMNAKDM4E | |
| Benzaldehyde SCHEMBL10821733 | 0.80 | ALDH1A1 (0.42) | ALDH1A1CYP2A6KMT2AMEN1LMNA | |
| Phenylacetaldehyde SCHEMBL112416 | 0.79 | TSHR (0.40) | ALDH1A1KMT2AMEN1LMNATSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2292585-B1 | Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound | APTUIT WEST LAFAYETTE LLC (US) | 2016-04-27 | — | — | EP | disclosed |