Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | PNMT | P11086 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PDE2A | O00408 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | PDCD1LG2 | Q9BQ51 | 3/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | KDM1B | Q8NB78 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12533352 | 0.84 | P2RX7 (0.31) | — | |
| SCHEMBL16046691 | 0.82 | PDE2A (0.40) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL23336900 | 0.78 | PDE2A (0.38) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL23113953 | 0.78 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL18854482 | 0.78 | PDE2A (0.38) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| Hydrochloric Acid SCHEMBL23303736 | 0.77 | PDE2A (0.37) | LMNAALDH1A1GLATP53HTT | |
| Hydrochloric Acid SCHEMBL23303738 | 0.77 | PDE2A (0.37) | LMNAALDH1A1GLATP53HTT | |
| SCHEMBL26050798 | 0.76 | — | — | |
| SCHEMBL26051945 | 0.76 | PDE2A (0.36) | LMNATP53HTTPDE2AKDM1A | |
| SCHEMBL26051686 | 0.74 | LMNA (0.42) | CYP1A2CYP3A4CYP2D6NFKB1PNMT |
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-3793994-B1 | INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE | BIOGEN MA INC (US) | 2023-08-23 | — | — | EP | disclosed |