Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | UTRN | P46939 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 6/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23033529 | 0.93 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL23033498 | 0.88 | NPC1 (0.44) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL23034026 | 0.87 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL23033742 | 0.86 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL23033743 | 0.86 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL23012521 | 0.86 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL23034104 | 0.86 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL23033446 | 0.85 | KDM4E (0.42) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL23033436 | 0.85 | KDM4E (0.42) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL23033444 | 0.85 | KDM4E (0.42) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A |
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 |