Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | BLM | P54132 | 4/20 | 0.42 |
| ▸ | GABBR2 | O75899 | 4/20 | 0.42 |
| ▸ | GABBR1 | Q9UBS5 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.42 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28135218 | 0.93 | NFKB1 (0.44) | CYP1A2LMNABLMGABBR2GABBR1 | |
| SCHEMBL284778 | 0.91 | LMNA (0.46) | CYP1A2LMNABLMGABBR2GABBR1 | |
| SCHEMBL11150273 | 0.91 | LMNA (0.46) | CYP1A2LMNABLMGABBR2GABBR1 | |
| SCHEMBL8895185 | 0.90 | LMNA (0.45) | CYP1A2LMNABLMGABBR2GABBR1 | |
| SCHEMBL2201756 | 0.85 | TSHR (0.43) | BLMTSHRCA4FDPS | |
| Phosphonic Acid SCHEMBL29448836 | 0.85 | LMNA (0.41) | CYP1A2LMNABLMGABBR2GABBR1 | |
| SCHEMBL27513768 | 0.84 | CYP1A2 (0.42) | CYP1A2LMNABLMGABBR2GABBR1 | |
| SCHEMBL27725186 | 0.83 | CA4 (0.42) | LMNATSHRCA4 | |
| Ammonia Solution, Strong SCHEMBL1408904 | 0.83 | CA4 (0.42) | TSHRCA4RECQL | |
| SCHEMBL285627 | 0.80 | CA4 (0.48) | LMNABLMTSHRTHRBKMT2A |
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-116583217-A | Non-invasively determining physiological states of interest in a subject from spectral data processed using a trained machine learning model | ISBRG公司 | 2023-08-11 | — | — | CN | disclosed |