Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.30 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.30 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.30 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.30 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.30 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.30 |
| ▸ | CYP2C18 | P33260 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10505721 | 0.76 | CA2 (0.37) | PIN1CA1CA2 | |
| SCHEMBL28843549 | 0.71 | CYP1A1 (0.48) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL28559205 | 0.65 | VHL (0.38) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9144052 | 0.63 | HCRTR1 (0.42) | — | |
| SCHEMBL28384647 | 0.62 | — | — | |
| SCHEMBL21937667 | 0.62 | IDO1 (0.46) | PIN1CA1CA2CYP19A1 | |
| SCHEMBL384149 | 0.62 | IDO1 (0.46) | PIN1CA1CA2CYP19A1 | |
| SCHEMBL9165650 | 0.62 | IDO1 (0.46) | PIN1CA1CA2CYP19A1 | |
| SCHEMBL24343773 | 0.62 | — | — | |
| SCHEMBL28703565 | 0.61 | VHL (0.41) | — |
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-104710438-A | Spirocyclic compound for promoting generation of iPS cells, and preparation method and use thereof | SHANGHAI INST MATERIA MEDICA | 2015-06-17 | — | — | CN | disclosed |