Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.59 |
| ▸ | HTT | P42858 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | PYGL | P06737 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2088259 | 0.90 | ALDH1A1 (0.64) | ALDH1A1HTTMAPTKDM4EPOLB | |
| SCHEMBL23033341 | 0.87 | HTT (0.55) | ALDH1A1HTTMAPTKDM4EPOLB | |
| SCHEMBL9768609 | 0.85 | ALDH1A1 (0.57) | ALDH1A1HTTMAPTKDM4EPOLB | |
| SCHEMBL13110648 | 0.83 | TDP1 (0.67) | ALDH1A1HTTMAPTKDM4EMEN1 | |
| SCHEMBL23033983 | 0.83 | NPC1 (0.52) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL23033428 | 0.83 | ALDH1A1 (0.47) | ALDH1A1MAPTKDM4EPOLBMEN1 | |
| SCHEMBL8651201 | 0.83 | ALDH1A1 (0.55) | ALDH1A1HTTMAPTKDM4EPOLB | |
| SCHEMBL1851780 | 0.82 | SMN1; SMN2 (0.68) | ALDH1A1HTTMAPTKDM4EPOLB | |
| SCHEMBL30492996 | 0.82 | SMN1; SMN2 (0.68) | ALDH1A1HTTMAPTKDM4EPOLB | |
| SCHEMBL9192282 | 0.82 | ALDH1A1 (0.56) | ALDH1A1HTTMAPTKDM4EPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022156737-A1 | CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM | 四川海思科制药有限公司 | 2022-07-28 | — | — | WO | disclosed |
| 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 |
| US-20050203286-A1 | Environmental protection series of reactive dyestuffs and their use | EVERLIGHT USA, INC. (US) | 2005-09-15 | — | — | US | disclosed |