Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MPI | P34949 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20153037 | 0.89 | ESR1 (0.34) | CYP1A2HTR1ACYP2D6DRD2PKM | |
| SCHEMBL23027457 | 0.82 | CYP1A2 (0.40) | CYP1A2HTR1ACYP2D6DRD2PKM | |
| SCHEMBL13999136 | 0.75 | ESR1 (0.40) | CYP1A2TSHR | |
| SCHEMBL29822725 | 0.75 | ALOX15 (0.32) | ALOX15 | |
| SCHEMBL16312967 | 0.75 | HDAC3 (0.34) | CYP1A2ALOX15TSHRMAPK1 | |
| SCHEMBL20152961 | 0.75 | — | — | |
| SCHEMBL20152953 | 0.75 | PDE7A (0.38) | TSHRMAPK1 | |
| SCHEMBL14770071 | 0.75 | ALOX15 (0.32) | ALOX15 | |
| SCHEMBL23027374 | 0.71 | CYP1A2 (0.40) | CYP1A2HTR1ACYP2D6DRD2PKM | |
| SCHEMBL30785796 | 0.71 | HPGD (0.39) | DRD2ALOX15TSHRMAPK1LMNA |
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-2018086197-A1 | CATALYTIC ASYMMETRIC SYNTHESIS METHOD FOR CHIRAL SPINOL DERIVATE | 南方科技大学 | 2018-05-17 | — | — | WO | disclosed |