Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 4/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 6/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.32 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.32 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.30 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.30 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.30 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | CA9 | Q16790 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11664569 | 0.97 | TDP1 (0.53) | TDP1CYP3A4ESR1ESR2TSHR | |
| SCHEMBL230096 | 0.97 | TDP1 (0.53) | TDP1CYP3A4ESR1ESR2TSHR | |
| SCHEMBL11655670 | 0.93 | TDP1 (0.50) | TDP1CYP3A4ESR1ESR2TSHR | |
| Phosphine SCHEMBL21463026 | 0.93 | TDP1 (0.50) | TDP1CYP3A4ESR1ESR2TSHR | |
| SCHEMBL28788167 | 0.93 | TDP1 (0.50) | TDP1CYP3A4ESR1ESR2TSHR | |
| Hydrochloric Acid SCHEMBL11043775 | 0.90 | CYP3A4 (0.47) | TDP1CYP3A4ESR1ESR2TSHR | |
| Hydrochloric Acid SCHEMBL7562346 | 0.90 | CYP3A4 (0.47) | TDP1CYP3A4ESR1ESR2TSHR | |
| SCHEMBL7562350 | 0.88 | CYP3A4 (0.45) | TDP1CYP3A4ESR1ESR2TSHR | |
| Ethane SCHEMBL5755625 | 0.88 | CYP3A4 (0.45) | TDP1CYP3A4ESR1ESR2TSHR | |
| Ethane SCHEMBL5591025 | 0.88 | CYP3A4 (0.45) | TDP1CYP3A4ESR1ESR2TSHR |
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-116217572-A | Preparation method of multi-condensed ring indoline derivative | 浙江工业大学 | 2023-06-06 | — | — | CN | disclosed |