Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 2/20 | 0.43 |
| ▸ | TLR2 | O60603 | 1/20 | 0.43 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.43 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 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 | |
|---|---|---|---|---|
| SCHEMBL17828382 | 0.83 | MCHR1 (0.41) | ERN1TLR2TLR1TLR6LMNA | |
| SCHEMBL15077421 | 0.83 | ALDH1A1 (0.42) | ERN1TLR2TLR1TLR6LMNA | |
| SCHEMBL16954514 | 0.82 | CA1 (0.41) | ERN1TLR2TLR1TLR6LMNA | |
| SCHEMBL16952672 | 0.82 | AR (0.37) | LMNAKMT2ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19519745 | 0.81 | MCHR1 (0.44) | ERN1TLR2TLR1TLR6LMNA | |
| SCHEMBL177279 | 0.81 | ALDH1A1 (0.55) | ERN1TLR2TLR1TLR6LMNA | |
| SCHEMBL1748658 | 0.80 | SRC (0.45) | ERN1TLR2TLR1TLR6LMNA | |
| SCHEMBL137836 | 0.79 | ERN1 (0.61) | ERN1TLR2TLR1TLR6LMNA | |
| SCHEMBL19777979 | 0.79 | ALDH1A1 (0.36) | ERN1TLR2TLR1TLR6LMNA | |
| SCHEMBL6565569 | 0.79 | ERN1 (0.66) | ERN1TLR2TLR1TLR6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5552550-A | COUPLING NAPHTHALENE AND ISOQUINOLINE TO FORM ALKALOIDS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1996-09-03 | — | — | US | disclosed |