Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
| ▸ | LDHA | P00338 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.31 |
| ▸ | TCF7L2 | Q9NQB0 | 2/20 | 0.31 |
| ▸ | EGFR | P00533 | 5/20 | 0.31 |
| ▸ | SOS1 | Q07889 | 3/20 | 0.31 |
| ▸ | LDHB | P07195 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22862606 | 1.00 | NPC1 (0.33) | NPC1RAB9APOLBPKML3MBTL1 | |
| SCHEMBL29490316 | 0.92 | EGFR (0.36) | NPC1RAB9APOLBEGFRSOS1 | |
| SCHEMBL22862683 | 0.92 | EGFR (0.36) | NPC1RAB9APOLBEGFRSOS1 | |
| SCHEMBL22862570 | 0.84 | RAB9A (0.38) | NPC1RAB9ALDHAALDH1A1MAPT | |
| SCHEMBL29490260 | 0.84 | RAB9A (0.38) | NPC1RAB9ALDHAALDH1A1MAPT | |
| SCHEMBL24704616 | 0.82 | SOS1 (0.35) | MAPTSOS1IDH1 | |
| SCHEMBL22862715 | 0.80 | LDHA (0.45) | LDHAEGFRLDHBKDR | |
| SCHEMBL29490352 | 0.80 | LDHA (0.45) | LDHAEGFRLDHBKDR | |
| SCHEMBL22862705 | 0.80 | NUDT1 (0.39) | NPC1RAB9APOLBPKML3MBTL1 | |
| SCHEMBL22862976 | 0.80 | NUDT1 (0.39) | NPC1RAB9APOLBPKML3MBTL1 |
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-3976009-A2 | BAX INHIBITORS AND USES THEREOF | Case Western Reserve University (US) | 2022-04-06 | — | — | EP | disclosed |