Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL230628 | 0.96 | KCNN4 (0.53) | KCNN4ALDH1A1TSHRESR1ESR2 | |
| SCHEMBL29554666 | 0.92 | KCNN4 (0.50) | KCNN4ALDH1A1TSHRESR1ESR2 | |
| Hydrochloric Acid SCHEMBL30101973 | 0.92 | KCNN4 (0.50) | KCNN4ALDH1A1TSHRESR1ESR2 | |
| Bromide SCHEMBL31591135 | 0.92 | KCNN4 (0.50) | KCNN4ALDH1A1TSHRESR1ESR2 | |
| SCHEMBL11822974 | 0.90 | KIF11 (0.55) | KCNN4ALDH1A1TSHRESR1ESR2 | |
| SCHEMBL11824203 | 0.89 | KCNN4 (0.47) | KCNN4ALDH1A1TSHRESR1ESR2 | |
| SCHEMBL20806535 | 0.87 | KIF11 (0.59) | KCNN4ALDH1A1TSHRCYP3A4MAPK1 | |
| SCHEMBL3956177 | 0.85 | ALDH1A1 (0.53) | KCNN4ALDH1A1TSHRESR1ESR2 | |
| SCHEMBL17941356 | 0.85 | ALDH1A1 (0.53) | KCNN4ALDH1A1TSHRESR1ESR2 | |
| SCHEMBL21189688 | 0.85 | KCNN4 (0.39) | KCNN4ALDH1A1TSHRESR1ESR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115403745-A | Trans-disubstituted calix [4] pyrrole-based supermolecule macrocyclic porous organic polymer, and preparation method and application thereof | 上海大学 | 2022-11-29 | — | — | CN | claimed |
| CN-115403745-A | Trans-disubstituted calix [4] pyrrole-based supermolecule macrocyclic porous organic polymer, and preparation method and application thereof | 上海大学 | 2022-11-29 | — | — | CN | disclosed |
| EP-0431399-A2 | Process for the preparation of high molecular polycarbonates and polyestercarbonates | BAYER AG (DE) | 1991-06-12 | — | — | EP | disclosed |