Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.41 |
| ▸ | TUBB | P07437 | 3/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28841197 | 0.74 | PTGS1 (0.62) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL17454377 | 0.73 | ALDH1A1 (0.55) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL15004609 | 0.73 | KMT2A (0.51) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL30714859 | 0.71 | ADCY10 (0.53) | NPC1RAB9AHSP90AA1HSP90AB1KDM4E | |
| SCHEMBL17452654 | 0.70 | ALDH1A1 (0.51) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL20229616 | 0.70 | ALDH1A1 (0.51) | RAB9AKDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL13050191 | 0.69 | KDM4E (0.44) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL2985509 | 0.69 | ADRA1B (0.50) | ALDH1A1GAAMAPT | |
| SCHEMBL16313637 | 0.68 | HSP90AA1 (0.36) | NPC1RAB9AHSP90AA1HSP90AB1KDM4E | |
| SCHEMBL2986458 | 0.68 | ALOX5 (0.70) | KDM4EALDH1A1SMN1; SMN2HSD17B10GAA |
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-2023242454-A1 | HYBRID MATERIAL FOR DETECTING ACID AND BASE VAPOURS | UNIVERSIDAD DE CASTILLA LA MANCHA (ES) | 2023-12-21 | — | — | WO | disclosed |