Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.39 |
| ▸ | RAB9A | P51151 | 8/20 | 0.39 |
| ▸ | TP53 | P04637 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | BCL6 | P41182 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 2/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23860737 | 1.00 | NPC1 (0.39) | NPC1RAB9ATP53ALDH1A1PKM | |
| SCHEMBL23860734 | 0.90 | NPC1 (0.38) | NPC1RAB9ATP53ALDH1A1PKM | |
| SCHEMBL30165301 | 0.90 | NPC1 (0.38) | NPC1RAB9ATP53ALDH1A1PKM | |
| SCHEMBL23860707 | 0.88 | NPC1 (0.41) | NPC1RAB9ATP53ALDH1A1PKM | |
| SCHEMBL30165316 | 0.87 | NPC1 (0.41) | NPC1RAB9ATP53ALDH1A1PKM | |
| SCHEMBL23860702 | 0.87 | NPC1 (0.41) | NPC1RAB9ATP53ALDH1A1PKM | |
| SCHEMBL30165287 | 0.86 | IRAK1 (0.48) | NPC1RAB9ATP53ALDH1A1PKM | |
| SCHEMBL23860732 | 0.86 | IRAK1 (0.48) | NPC1RAB9ATP53ALDH1A1PKM | |
| SCHEMBL30165285 | 0.83 | F13A1 (0.40) | NPC1RAB9ATP53ALDH1A1PKM | |
| SCHEMBL23860700 | 0.82 | NPC1 (0.48) | NPC1RAB9ATP53ALDH1A1PKM |
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-4125895-A1 | POTENT AND SELECTIVE IRREVERSIBLE INHIBITORS OF IRAK1 | Dana-Farber Cancer Institute, Inc. (US) | 2023-02-08 | — | — | EP | disclosed |