Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 4/20 | 0.56 |
| ▸ | TLR2 | O60603 | 1/20 | 0.56 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.56 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TOP1 | P11387 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30203863 | 0.96 | ERN1 (0.56) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL30203585 | 0.91 | ERN1 (0.66) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL19608967 | 0.85 | ERN1 (0.51) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL17023571 | 0.82 | ERN1 (0.49) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL14450999 | 0.80 | CA1 (0.50) | ALDH1A1LMNACYP1A2CYP2C19TSHR | |
| SCHEMBL14876792 | 0.80 | ALDH1A1 (0.65) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL19608998 | 0.80 | CA1 (0.50) | ALDH1A1LMNACYP1A2CYP2C19TSHR | |
| SCHEMBL23327884 | 0.80 | ERN1 (0.47) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL30212920 | 0.80 | ERN1 (0.44) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL7922716 | 0.79 | ERN1 (0.53) | ERN1TLR2TLR1TLR6ALDH1A1 |
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-2017193288-A1 | SYNTHESIS OF PHOSPHINE LIGANDS BEARING TUNABLE LINKAGE: METHODS OF THEIR USE IN CATALYSIS | THE HONG KONG POLYTECHNIC UNIVERSITY SHENZHEN RESEARCH INSTITUTE (CN) | 2017-11-16 | — | — | WO | disclosed |