Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I3 | Q14994 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 4/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13024122 | 0.83 | ESR1 (0.60) | KIF11ESR1ESR2CNR1MEN1 | |
| SCHEMBL29039706 | 0.82 | PTGS2 (0.52) | KIF11ESR1ESR2RAB9APTGS2 | |
| SCHEMBL14112753 | 0.78 | TUBB4A (0.48) | KIF11ESR1ESR2TLR9TLR7 | |
| SCHEMBL30437300 | 0.78 | TUBB4A (0.48) | KIF11ESR1ESR2TLR9TLR7 | |
| SCHEMBL28906384 | 0.76 | NR1I3 (0.51) | NR1I3KIF11HTR6 | |
| SCHEMBL30047453 | 0.76 | NR1I3 (0.51) | NR1I3KIF11HTR6 | |
| SCHEMBL820614 | 0.74 | MAPK14 (0.55) | ESR1ESR2PTGS2 | |
| SCHEMBL23704245 | 0.72 | TLR9 (0.52) | NR1I3KIF11NPC1MEN1POLB | |
| SCHEMBL20933847 | 0.72 | KIF11 (0.58) | NR1I3KIF11NPC1MEN1POLB | |
| SCHEMBL19061672 | 0.72 | KIF11 (0.68) | NR1I3KIF11NPC1MEN1POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-116082214-A | 2-aryl-3-tert-butylindole compound, preparation method and application thereof | 常州大学 | 2023-05-09 | — | — | CN | disclosed |