Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.39 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.39 |
| ▸ | ITGAL | P20701 | 1/20 | 0.39 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.36 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CRHBP | P24387 | 2/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5174865 | 1.00 | KCNH2 (0.44) | KCNH2ITGB2ICAM1ITGALMAP3K14 | |
| SCHEMBL8576022 | 0.90 | MTNR1A (0.38) | KCNH2ITGB2ICAM1ITGALLTB4R | |
| SCHEMBL3585379 | 0.86 | ITGB2 (0.41) | KCNH2ITGB2ICAM1ITGALMAP3K14 | |
| SCHEMBL29961247 | 0.86 | ITGB2 (0.41) | KCNH2ITGB2ICAM1ITGALMAP3K14 | |
| SCHEMBL29960536 | 0.83 | KCNH2 (0.44) | KCNH2ITGB2ICAM1ITGALLMNA | |
| SCHEMBL9772853 | 0.83 | KCNH2 (0.44) | KCNH2ITGB2ICAM1ITGALMAP3K14 | |
| SCHEMBL8647207 | 0.82 | LTB4R (0.45) | LTB4RLTB4R2HTT | |
| Hydrochloric Acid SCHEMBL29960253 | 0.81 | KCNH2 (0.44) | KCNH2ITGB2ICAM1ITGALLMNA | |
| SCHEMBL3593898 | 0.81 | HTT (0.49) | KCNH2HTTSSTR4 | |
| SCHEMBL29960400 | 0.81 | HTT (0.49) | KCNH2HTTSSTR4 |
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-2022204150-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS | BLUE OAK PHARMACEUTICALS, INC. (US) | 2022-09-29 | — | — | WO | disclosed |