Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1137323 | 0.82 | THRB (0.46) | TSHRCA6THRBALDH1A1VRK1 | |
| SCHEMBL95180 | 0.82 | CYP3A4 (0.58) | GAAMAPTCYP3A4TSHRTDP1 | |
| SCHEMBL30184938 | 0.80 | GAA (0.50) | GAAMAPTCYP3A4TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL2876394 | 0.79 | THRB (0.43) | MAPTTSHRTDP1THRBMEN1 | |
| Hydrochloric Acid SCHEMBL4929431 | 0.79 | CYP3A4 (0.55) | GAAMAPTCYP3A4TSHRTDP1 | |
| SCHEMBL22133464 | 0.77 | THRB (0.42) | GAAMAPTCYP3A4TSHRCA6 | |
| SCHEMBL1155741 | 0.75 | ERN1 (0.46) | GAAMAPTCYP3A4TSHRTDP1 | |
| SCHEMBL11744136 | 0.75 | CYP3A4 (0.65) | MAPTCYP3A4TSHRTDP1CA1 | |
| SCHEMBL21695780 | 0.75 | GAA (0.50) | GAAMAPTCYP3A4TSHRTDP1 | |
| SCHEMBL29621743 | 0.75 | GAA (0.50) | GAAMAPTCA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023072143-A1 | CAMPTOTHECIN DERIVATIVE INTERMEDIATE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海弼领生物技术有限公司 | 2023-05-04 | — | — | WO | disclosed |