Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29960005 | 1.00 | NPC1 (0.46) | NPC1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL29959752 | 0.91 | ALDH1A1 (0.45) | NPC1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL23069833 | 0.91 | ALDH1A1 (0.45) | NPC1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL29960052 | 0.91 | ALDH1A1 (0.45) | NPC1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL23069834 | 0.91 | ALDH1A1 (0.45) | NPC1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL23069883 | 0.91 | ALDH1A1 (0.45) | NPC1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL23070016 | 0.91 | NPC1 (0.53) | NPC1ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL23070015 | 0.91 | NPC1 (0.53) | NPC1ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL23069998 | 0.90 | ALDH1A1 (0.52) | NPC1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL23070002 | 0.90 | ALDH1A1 (0.52) | NPC1ALDH1A1MAPTHPGDLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021046315-A2 | INHIBITORS OF ENCEPHALITIC ALPHAVIRUSES | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2021-03-11 | — | — | WO | disclosed |
| WO-2021046315-A2 | INHIBITORS OF ENCEPHALITIC ALPHAVIRUSES | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2021-03-11 | — | — | WO | disclosed |