Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | PTGES | O14684 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NPY1R | P25929 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | CYP26B1 | Q9NR63 | 2/20 | 0.37 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23033316 | 0.83 | ALDH1A1 (0.41) | NPC1RAB9APTGESSMN1; SMN2KDM4E | |
| SCHEMBL23033530 | 0.82 | ALDH1A1 (0.52) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL28714600 | 0.80 | ALDH1A1 (0.44) | NPC1RAB9APTGESSMN1; SMN2KDM4E | |
| SCHEMBL23012167 | 0.79 | TYK2 (0.39) | BUB1ABL1 | |
| SCHEMBL29479624 | 0.72 | MAPT (0.53) | NPC1RAB9APTGESSMN1; SMN2KDM4E | |
| SCHEMBL23012893 | 0.72 | MAPT (0.53) | NPC1RAB9APTGESSMN1; SMN2KDM4E | |
| SCHEMBL23033587 | 0.70 | GSK3B (0.43) | — | |
| SCHEMBL23012691 | 0.69 | PIM1 (0.65) | ABL1 | |
| SCHEMBL23012175 | 0.67 | NPC1 (0.70) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL29479597 | 0.67 | NPC1 (0.70) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 |
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-2021032209-A1 | ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF | 四川海思科制药有限公司 | 2021-02-25 | — | — | WO | disclosed |