Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.31 |
| ▸ | CPT2 | P23786 | 1/20 | 0.31 |
| ▸ | CPT1A | P50416 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.30 |
| ▸ | PHGDH | O43175 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23034077 | 0.90 | LMNA (0.36) | ACACBPHGDHCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL23034078 | 0.90 | LMNA (0.36) | ACACBPHGDHCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL23034241 | 0.86 | ACACB (0.32) | ACACBS1PR1S1PR3CCR5CPT2 | |
| SCHEMBL23034243 | 0.86 | ACACB (0.32) | ACACBS1PR1S1PR3CCR5CPT2 | |
| SCHEMBL23033707 | 0.83 | ACACB (0.34) | ACACBS1PR1S1PR3CPT2CPT1A | |
| SCHEMBL23034079 | 0.83 | NPC1 (0.43) | — | |
| SCHEMBL23033464 | 0.83 | NPC1 (0.43) | — | |
| SCHEMBL23033621 | 0.83 | S1PR1 (0.33) | ACACBS1PR1S1PR3CPT2CPT1A | |
| SCHEMBL23033526 | 0.81 | ACACB (0.32) | ACACBS1PR1S1PR3CPT2CPT1A | |
| SCHEMBL23033440 | 0.80 | ALDH1A1 (0.46) | — |
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 |