Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.61 |
| ▸ | RAB9A | P51151 | 10/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | CASP3 | P42574 | 2/20 | 0.61 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 5/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL25625302 | 0.88 | TSHR (0.55) | NPC1RAB9AKMT2AMEN1CASP3 | |
| SCHEMBL22663954 | 0.85 | HDAC6 (0.65) | NPC1RAB9AKMT2AMEN1CASP3 | |
| SCHEMBL25624863 | 0.84 | APP (0.65) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL25624699 | 0.83 | KDM4E (0.61) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL20714112 | 0.83 | HDAC6 (0.62) | NPC1RAB9AKMT2AMEN1CASP3 | |
| SCHEMBL24871282 | 0.80 | TSHR (0.67) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL4062301 | 0.78 | NPC1 (0.66) | NPC1RAB9AKMT2AMEN1CASP3 | |
| SCHEMBL23079805 | 0.78 | KDM4E (0.61) | NPC1RAB9AKMT2AMEN1CASP3 | |
| SCHEMBL25028049 | 0.78 | NPC1 (0.72) | NPC1RAB9AKMT2AMEN1CASP3 | |
| SCHEMBL17544097 | 0.78 | MAPT (0.66) | NPC1RAB9AKMT2AMEN1RXFP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023109745-A1 | SMALL-MOLECULE PROBE FOR IMAGING OF α-SYNUCLEIN AGGREGATE | 复旦大学 | 2023-06-22 | — | — | WO | disclosed |