Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.48 |
| ▸ | RAB9A | P51151 | 9/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 4/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | GRM5 | P41594 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23860700 | 1.00 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL30279683 | 0.90 | GRM5 (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1GRM5 | |
| SCHEMBL20206227 | 0.90 | GRM5 (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1GRM5 | |
| SCHEMBL23860726 | 0.90 | GRM5 (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1GRM5 | |
| SCHEMBL20206226 | 0.90 | GRM5 (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1GRM5 | |
| SCHEMBL23860696 | 0.89 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL23860702 | 0.86 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL30165316 | 0.86 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL23860707 | 0.85 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL30165293 | 0.84 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 |
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 |