Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | CTSD | P07339 | 2/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20111343 | 0.80 | — | — | |
| SCHEMBL9060289 | 0.80 | SIGMAR1 (0.58) | SIGMAR1NOS1NPSR1MAPK1MAPT | |
| SCHEMBL11301865 | 0.78 | SIGMAR1 (0.61) | SIGMAR1NPSR1MAPK1MAPTALDH1A1 | |
| SCHEMBL18619965 | 0.72 | SIGMAR1 (0.36) | SIGMAR1NOS1KDM4E | |
| SCHEMBL4104793 | 0.71 | KDM1A (0.33) | KDM1ANPSR1MAPK1CHEK1MAPT | |
| SCHEMBL16108920 | 0.71 | ALDH1A1 (0.40) | KDM1ANPSR1MAPK1CHEK1MAPT | |
| SCHEMBL3644508 | 0.71 | CHEK1 (0.41) | KDM1ACHEK1CHRM4MAPTALDH1A1 | |
| SCHEMBL29131058 | 0.70 | POLB (0.57) | MAPK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL18281392 | 0.70 | KDM1A (0.33) | KDM1ANPSR1MAPK1CHEK1MAPT | |
| SCHEMBL3141240 | 0.68 | NPC1 (0.43) | KDM1AMAPK1CHEK1CHRM4MAPT |
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-3307727-B1 | HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER | ASANA BIOSCIENCES LLC (US) | 2023-10-04 | — | — | EP | disclosed |