Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 7/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL13165680 | 0.90 | TSHR (0.41) | TSHRCASP1LMNAALDH1A1USP2 | |
| SCHEMBL16790587 | 0.90 | NPSR1 (0.37) | P2RX7TSHRCASP1CNR2ALDH1A1 | |
| SCHEMBL13165661 | 0.87 | TSHR (0.41) | TSHRCASP1LMNAALDH1A1USP2 | |
| SCHEMBL14495594 | 0.84 | TSHR (0.38) | TSHRCASP1LMNAALDH1A1USP2 | |
| SCHEMBL18502832 | 0.82 | ALDH1A1 (0.37) | TSHRCASP1LMNAALDH1A1USP2 | |
| SCHEMBL23214683 | 0.81 | KDM4E (0.35) | P2RX7TSHRCASP1ALDH1A1NPSR1 | |
| SCHEMBL15461399 | 0.81 | CNR2 (0.34) | TSHRCASP1CNR2ALDH1A1NPSR1 | |
| SCHEMBL1746242 | 0.81 | ALDH1A1 (0.53) | TSHRLMNAALDH1A1USP2CYP1A2 | |
| SCHEMBL14495589 | 0.79 | TSHR (0.35) | TSHRCASP1LMNAALDH1A1USP2 | |
| SCHEMBL24920797 | 0.79 | TSHR (0.41) | TSHRCASP1LMNAALDH1A1USP2 |
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-108617166-B | Protein kinase inhibitor benzolactam compounds | 大冢制药株式会社 | 2022-05-17 | — | — | CN | claimed |