Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.71 |
| ▸ | RAB9A | P51151 | 4/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.71 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | EGFR | P00533 | 7/20 | 0.58 |
| ▸ | PIK3CA | P42336 | 7/20 | 0.58 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 1/20 | 0.53 |
| ▸ | NSD2 | O96028 | 1/20 | 0.52 |
| ▸ | AR | P10275 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2735818 | 0.89 | NPC1 (0.71) | NPC1RAB9ALMNASMN1; SMN2TP53 | |
| SCHEMBL7208136 | 0.83 | NPC1 (1.00) | NPC1RAB9ALMNASMN1; SMN2TP53 | |
| SCHEMBL29475123 | 0.83 | NPC1 (1.00) | NPC1RAB9ALMNASMN1; SMN2TP53 | |
| SCHEMBL29176363 | 0.83 | NPC1 (0.71) | NPC1RAB9ALMNASMN1; SMN2TP53 | |
| Hydrochloric Acid SCHEMBL16465542 | 0.82 | NPC1 (0.97) | NPC1RAB9ALMNASMN1; SMN2TP53 | |
| SCHEMBL29176334 | 0.80 | NPC1 (0.52) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL17149688 | 0.80 | NPC1 (0.52) | NPC1RAB9ALMNASMN1; SMN2TP53 | |
| SCHEMBL19592646 | 0.80 | NPC1 (0.66) | NPC1RAB9ALMNASMN1; SMN2TP53 | |
| SCHEMBL17327557 | 0.79 | EGFR (0.75) | NPC1RAB9ALMNASMN1; SMN2TP53 | |
| SCHEMBL30147583 | 0.79 | ALOX15 (0.68) | NPC1RAB9ALMNARXFP1IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117447381-A | Indole amide derivative and its application in preparing beta 2 Use of adrenoreceptor allosteric antagonist medicaments | 常州大学 | 2024-01-26 | — | — | CN | disclosed |