Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 3/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | PHGDH | O43175 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | UTRN | P46939 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23033707 | 0.89 | ACACB (0.34) | CYP1A2CYP2D6CYP2C9ACACBPHGDH | |
| SCHEMBL28698042 | 0.83 | NR2E1 (0.37) | CYP1A2CYP2D6CYP2C9MGLLACACB | |
| SCHEMBL28698041 | 0.83 | NR2E1 (0.37) | CYP1A2CYP2D6CYP2C9MGLLACACB | |
| SCHEMBL23034078 | 0.83 | LMNA (0.36) | CYP1A2CYP2D6CYP2C9MGLLACACB | |
| SCHEMBL29479695 | 0.83 | NR2E1 (0.37) | CYP1A2CYP2D6CYP2C9MGLLACACB | |
| SCHEMBL23034077 | 0.83 | LMNA (0.36) | CYP1A2CYP2D6CYP2C9MGLLACACB | |
| SCHEMBL23033492 | 0.82 | NPSR1 (0.34) | CYP1A2CYP2D6CYP2C9MGLLPHGDH | |
| SCHEMBL23033995 | 0.80 | ALDH1A1 (0.44) | MEN1KMT2ANPSR1TP53SMN1; SMN2 | |
| SCHEMBL23033993 | 0.80 | ALDH1A1 (0.44) | MEN1KMT2ANPSR1TP53SMN1; SMN2 | |
| SCHEMBL23012861 | 0.80 | ALDH1A1 (0.43) | CYP1A2CYP2D6CYP2C9MEN1KMT2A |
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 |