Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29479666 | 0.82 | PIM1 (0.56) | HDAC6PIK3CBPIK3CAKDM4EALDH1A1 | |
| SCHEMBL23012087 | 0.82 | PIM1 (0.56) | HDAC6PIK3CBPIK3CAKDM4EALDH1A1 | |
| SCHEMBL23034225 | 0.78 | KMO (0.41) | HDAC6PIK3CBPIK3CAKDM4EALDH1A1 | |
| SCHEMBL29479591 | 0.78 | HDAC6 (0.43) | HDAC6PIK3CBPIK3CAKDM4EALDH1A1 | |
| SCHEMBL23033674 | 0.78 | HDAC6 (0.43) | HDAC6PIK3CBPIK3CAKDM4EALDH1A1 | |
| SCHEMBL23034210 | 0.78 | KMO (0.41) | HDAC6PIK3CBPIK3CAKDM4EALDH1A1 | |
| SCHEMBL29479649 | 0.78 | PIK3CA (0.63) | HDAC6PIK3CBPIK3CAKDM4EALDH1A1 | |
| SCHEMBL23012902 | 0.78 | PIK3CA (0.63) | HDAC6PIK3CBPIK3CAKDM4EALDH1A1 | |
| SCHEMBL23033305 | 0.77 | HDAC6 (0.40) | HDAC6PIK3CBPIK3CAKDM4EALDH1A1 | |
| SCHEMBL28711116 | 0.77 | SMN1; SMN2 (0.59) | KDM4EALDH1A1MAPTNPC1RAB9A |
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 |