Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23071529 | 0.82 | IDH1 (0.39) | ALDH1A1LMNACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL1858459 | 0.82 | HTR3A (0.37) | ALDH1A1LMNACYP3A4CYP2C19HTT | |
| SCHEMBL335898 | 0.82 | ESR2 (0.52) | ALDH1A1LMNACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL7784850 | 0.77 | ALDH1A1 (0.37) | ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL23071549 | 0.77 | IDH1 (0.40) | ALDH1A1LMNACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL21462922 | 0.74 | IDH1 (0.33) | ALDH1A1LMNACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL27655622 | 0.73 | ESR2 (0.42) | ALDH1A1LMNACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL23071499 | 0.72 | ALDH1A1 (0.36) | ALDH1A1LMNACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL16345637 | 0.72 | ALOX5AP (0.42) | ALDH1A1LMNACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL7119393 | 0.72 | ESR1 (0.43) | ALDH1A1LMNACYP3A4CYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110637006-A | Process for producing carbonate derivative | 国立大学法人神户大学 | 2019-12-31 | — | — | CN | disclosed |