Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL23214856 | 1.00 | LMNA (0.44) | LMNASMN1; SMN2TSHRNPC1MAPT | |
| SCHEMBL23216381 | 0.88 | LMNA (0.44) | LMNASMN1; SMN2TSHRNPC1MAPT | |
| SCHEMBL29886780 | 0.88 | LMNA (0.44) | LMNASMN1; SMN2TSHRNPC1MAPT | |
| SCHEMBL29886227 | 0.87 | LMNA (0.44) | LMNASMN1; SMN2TSHRNPC1MAPT | |
| SCHEMBL23216873 | 0.87 | LMNA (0.44) | LMNASMN1; SMN2TSHRNPC1MAPT | |
| SCHEMBL23215172 | 0.79 | ALDH1A1 (0.42) | LMNASMN1; SMN2NPC1MAPTRAB9A | |
| SCHEMBL29886059 | 0.79 | ALDH1A1 (0.42) | LMNASMN1; SMN2NPC1MAPTRAB9A | |
| SCHEMBL23214982 | 0.72 | QDPR (0.45) | — | |
| SCHEMBL29768394 | 0.72 | QDPR (0.45) | — | |
| SCHEMBL23239810 | 0.70 | LMNA (0.62) | LMNASMN1; SMN2TSHRNPC1MAPT |
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-4041407-A1 | ARYL HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. Shaw Research, LLC (US) | 2022-08-17 | — | — | EP | disclosed |