Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | NOS2 | P35228 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL645891 | 0.80 | NOS2 (0.50) | HTR1AADRA1DADRA1AADRA1BKMT2A | |
| SCHEMBL29779666 | 0.80 | NOS2 (0.50) | HTR1AADRA1DADRA1AADRA1BKMT2A | |
| Diethylamine SCHEMBL6638505 | 0.80 | KMT2A (0.42) | HTR1AADRA1DADRA1AADRA1BKMT2A | |
| Diethylamine SCHEMBL6635043 | 0.80 | KMT2A (0.39) | HTR1AADRA1DADRA1AADRA1BKMT2A | |
| Hydrochloric Acid SCHEMBL10858865 | 0.80 | UHRF1 (0.48) | HTR1AADRA1DADRA1AADRA1BKMT2A | |
| SCHEMBL7893402 | 0.80 | KDM4E (0.55) | HTR1AADRA1DADRA1AADRA1BKMT2A | |
| Hydrochloric Acid SCHEMBL11412762 | 0.80 | UHRF1 (0.48) | HTR1AADRA1DADRA1AADRA1BKMT2A | |
| SCHEMBL921653 | 0.79 | KDM4E (0.47) | HTR1AADRA1DADRA1AADRA1BKMT2A | |
| SCHEMBL2259096 | 0.79 | KDM1A (0.47) | HTR1AADRA1DADRA1AADRA1BKMT2A | |
| Hydrochloric Acid SCHEMBL28783127 | 0.79 | NOS2 (0.49) | HTR1AADRA1DADRA1AADRA1BKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970334-B1 | MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES | BIOGEN MA INC (US) | 2018-05-23 | — | — | EP | disclosed |