Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | LDHA | P00338 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ATR | Q13535 | 4/20 | 0.47 |
| ▸ | PRKDC | P78527 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.42 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2850738 | 0.86 | IKBKB (0.60) | IKBKBKDM4ELDHAATRPRKDC | |
| SCHEMBL29907788 | 0.85 | DHODH (0.45) | IKBKBKDM4ELDHAATRPRKDC | |
| SCHEMBL6987949 | 0.82 | IKBKB (0.51) | IKBKBLDHAATRPRKDCASIC3 | |
| Formamide SCHEMBL29058743 | 0.81 | IKBKB (0.55) | IKBKBKDM4EATRPRKDCALDH1A1 | |
| SCHEMBL28918651 | 0.81 | ALDH1A1 (0.56) | IKBKBKDM4ELDHAATRPRKDC | |
| SCHEMBL319167 | 0.81 | ASIC3 (0.57) | IKBKBLDHAATRPRKDCASIC3 | |
| SCHEMBL27709226 | 0.81 | ADORA2A (0.48) | KDM4ELMNAATRPRKDCALDH1A1 | |
| SCHEMBL6990771 | 0.79 | IKBKB (0.51) | IKBKBKDM4ELDHAATRPRKDC | |
| SCHEMBL20899047 | 0.77 | LDHA (0.50) | IKBKBKDM4ELDHAATRPRKDC | |
| SCHEMBL318797 | 0.77 | ATR (0.68) | IKBKBATRPRKDC |
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-2024009283-A1 | AT2 ANTAGONISTS FOR NON-ADDICTIVE PAIN RELIEF | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2024-01-11 | — | — | WO | disclosed |