Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 3/20 | 0.43 |
| ▸ | FDPS | P14324 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | BTN3A1 | O00481 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.36 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9298019 | 0.81 | BLM (0.46) | ALDH1A1BLMFDPSTDP1BTN3A1 | |
| Pyrophosphoric Acid SCHEMBL2671881 | 0.75 | BLM (0.67) | ALDH1A1BLMFDPSTDP1BTN3A1 | |
| SCHEMBL28501421 | 0.74 | PPARD (0.58) | BLMFDPSTDP1BTN3A1PPARD | |
| SCHEMBL19429885 | 0.72 | FDPS (0.45) | BLMFDPSTDP1BTN3A1PPARD | |
| SCHEMBL13459272 | 0.72 | BTN3A1 (0.48) | BLMFDPSTDP1BTN3A1PPARD | |
| SCHEMBL23104805 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL11048285 | 0.71 | PPARD (0.61) | ALDH1A1BLMTDP1LMNACYP3A4 | |
| Pyrophosphoric Acid SCHEMBL17311822 | 0.70 | FDPS (0.59) | ALDH1A1BLMFDPSTDP1LMNA | |
| Pyrophosphoric Acid SCHEMBL63982 | 0.70 | BLM (0.59) | ALDH1A1BLMFDPSTDP1BTN3A1 | |
| Pyrophosphoric Acid SCHEMBL26683124 | 0.70 | BLM (0.59) | ALDH1A1BLMFDPSTDP1BTN3A1 |
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-113528594-B | Photocatalytic enzyme catalysis method for synthesizing multifunctional aniline compound | 中国科学院天津工业生物技术研究所 | 2023-06-02 | — | — | CN | disclosed |