Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2327962 | 0.83 | HTR2A (0.39) | HTR2AHTR2CADRA1AOPRK1KCNH2 | |
| SCHEMBL4298643 | 0.79 | KCNN4 (0.45) | HTR2AHTR2CADRA1AOPRK1KCNH2 | |
| SCHEMBL30530487 | 0.79 | KCNN4 (0.45) | HTR2AHTR2CADRA1AOPRK1KCNH2 | |
| SCHEMBL8895713 | 0.79 | KCNN4 (0.45) | HTR2AHTR2CADRA1AOPRK1KCNH2 | |
| SCHEMBL27703271 | 0.77 | KCNN4 (0.43) | HTR2AHTR2CADRA1AOPRK1KCNH2 | |
| SCHEMBL27641406 | 0.77 | KCNN4 (0.43) | HTR2AHTR2CADRA1AOPRK1KCNH2 | |
| SCHEMBL615106 | 0.77 | NPC1 (0.39) | KCNN4TSHRALDH1A1TDP1HSD11B1 | |
| SCHEMBL3378382 | 0.77 | CYP3A4 (0.36) | HTR2AHTR2CADRA1AOPRK1KCNH2 | |
| SCHEMBL2339533 | 0.76 | HTR2A (0.42) | HTR2AHTR2CADRA1AOPRK1KCNH2 | |
| SCHEMBL15228185 | 0.76 | KCNN4 (0.52) | HTR2AHTR2CADRA1AOPRK1KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111138422-B | Medicine for preventing and treating lupus erythematosus and preparation method thereof | 牡丹江医学院 | 2020-11-17 | — | — | CN | disclosed |
| CN-111138422-A | Medicine for preventing and treating lupus erythematosus and preparation method thereof | 牡丹江医学院 | 2020-05-12 | — | — | CN | disclosed |