Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | ADH1B | P00325 | 1/20 | 0.37 |
| ▸ | ADH1C | P00326 | 1/20 | 0.37 |
| ▸ | ADH1A | P07327 | 1/20 | 0.37 |
| ▸ | ADH7 | P40394 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17254501 | 0.93 | TSHR (0.62) | ALDH1A1TSHRCYP2C19CYP1A2KDM4E | |
| SCHEMBL12321612 | 0.91 | TSHR (0.59) | ALDH1A1TSHRCYP2C19CYP1A2KDM4E | |
| SCHEMBL7139396 | 0.87 | ALDH1A1 (0.54) | ALDH1A1TSHRCYP2C19CYP1A2CYP3A4 | |
| SCHEMBL239490 | 0.87 | ALDH1A1 (0.45) | ALDH1A1TSHRCYP2C19CYP1A2KDM4E | |
| SCHEMBL15782518 | 0.85 | TSHR (0.51) | ALDH1A1TSHRCYP2C19CYP1A2CYP3A4 | |
| SCHEMBL11726100 | 0.85 | TSHR (0.50) | ALDH1A1TSHRCYP2C19CYP1A2CYP3A4 | |
| SCHEMBL4354624 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL1965268 | 0.84 | ALDH1A1 (0.43) | ALDH1A1TSHRCYP2C19CYP1A2KDM4E | |
| SCHEMBL16948551 | 0.83 | KDM4E (0.46) | ALDH1A1TSHRCYP2C19KDM4EPOLB | |
| SCHEMBL8979968 | 0.83 | TSHR (0.55) | ALDH1A1TSHRCYP2C19CYP1A2CYP3A4 |
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-3805237-A1 | SYNTHESIS AND USES OF PEPTIDE BORATE ESTER COMPOUND | Jiangsu Chia Tai Fenghai Pharmaceutical Co., Ltd. (CN) | 2021-04-14 | — | — | EP | disclosed |