Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.47 |
| ▸ | XIAP | P98170 | 1/20 | 0.42 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.41 |
| ▸ | NMUR1 | Q9HB89 | 1/20 | 0.41 |
| ▸ | RAMP3 | O60896 | 6/20 | 0.41 |
| ▸ | CALCR | P30988 | 6/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | NTSR1 | P30989 | 3/20 | 0.39 |
| ▸ | NTSR2 | O95665 | 2/20 | 0.39 |
| ▸ | CMA1 | P23946 | 1/20 | 0.39 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.39 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.39 |
| ▸ | REN | P00797 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8643257 | 0.88 | KEAP1 (0.47) | KEAP1RAMP3CALCRCALCRL | |
| SCHEMBL8643264 | 0.88 | KEAP1 (0.47) | KEAP1RAMP3CALCRCALCRL | |
| SCHEMBL31001017 | 0.83 | CALCRL (0.47) | KEAP1XIAPNMUR2NMUR1NTSR1 | |
| SCHEMBL30420364 | 0.82 | NAA50 (0.49) | KEAP1NMUR2NMUR1RAMP3CALCR | |
| SCHEMBL8624738 | 0.82 | RAMP3 (0.51) | KEAP1RAMP3CALCROPRM1OPRD1 | |
| SCHEMBL8624746 | 0.82 | RAMP3 (0.51) | KEAP1RAMP3CALCROPRM1OPRD1 | |
| SCHEMBL30239989 | 0.82 | XIAP (0.49) | XIAPNTSR1NTSR2SORT1REN | |
| SCHEMBL29498697 | 0.82 | ACE (0.50) | XIAPOPRM1NTSR1NTSR2CMA1 | |
| SCHEMBL30974105 | 0.81 | CALCRL (0.46) | XIAPCTSDBACE1NTSR1NTSR2 | |
| SCHEMBL29454515 | 0.81 | XIAP (0.49) | XIAPCMA1CALCRLREN |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240269230-A1 | CYCLOTIDES IN COMBINATION WITH KAPPA OPIOID RECEPTOR LIGANDS FOR MS THERAPY | MEDIZINISCHE UNIVERSITAT WIEN (AT) | 2024-08-15 | — | — | US | disclosed |
| EP-3431095-B1 | CYCLOTIDES AS IMMUNOSUPPRESSIVE AGENTS | UNIV WIEN MED (AT) | 2023-11-01 | — | — | EP | disclosed |
| EP-4121085-A1 | CYCLOTIDES IN COMBINATION WITH KAPPA OPIOID RECEPTOR LIGANDS FOR MS THERAPY | Medizinische Universität Wien (AT) | 2023-01-25 | — | — | EP | disclosed |