Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK1 | P23458 | 7/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | IKBKB | O14920 | 2/20 | 0.35 |
| ▸ | CHUK | O15111 | 2/20 | 0.35 |
| ▸ | ABL1 | P00519 | 2/20 | 0.35 |
| ▸ | INSR | P06213 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | FLT3 | P36888 | 2/20 | 0.35 |
| ▸ | MAP3K11 | Q16584 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.33 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.33 |
| ▸ | TNIK | Q9UKE5 | 3/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.33 |
| ▸ | SGK1 | O00141 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29681210 | 1.00 | JAK1 (0.39) | JAK1KDM4EALDH1A1IKBKBCHUK | |
| SCHEMBL24528665 | 0.81 | NEK1 (0.36) | JAK1ALDH1A1IKBKBCHUKSYK | |
| SCHEMBL29680982 | 0.81 | NEK1 (0.36) | JAK1ALDH1A1IKBKBCHUKSYK | |
| SCHEMBL29680615 | 0.79 | KDM4E (0.39) | KDM4EALDH1A1IKBKBCHUKABL1 | |
| SCHEMBL24528663 | 0.79 | KDM4E (0.39) | KDM4EALDH1A1IKBKBCHUKABL1 | |
| SCHEMBL29680684 | 0.78 | AKT1 (0.48) | JAK1IKBKBCHUKABL1INSR | |
| Oxalic Acid SCHEMBL29680336 | 0.74 | AKT1 (0.46) | JAK1KDM4EALDH1A1 | |
| SCHEMBL24528632 | 0.68 | CYP2A6 (0.39) | JAK1ALDH1A1IKBKBCHUKPRKCQ | |
| SCHEMBL29680885 | 0.68 | CYP2A6 (0.39) | JAK1ALDH1A1IKBKBCHUKPRKCQ | |
| SCHEMBL24528660 | 0.65 | KDM4E (0.40) | KDM4EALDH1A1ALOX15MAPK1 |
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-2022129376-A1 | 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2022-06-23 | — | — | WO | disclosed |