Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 5/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | RB1 | P06400 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28487302 | 0.89 | DHODH (0.58) | DHODHCYP2D6KCNH2MAPTMEN1 | |
| SCHEMBL28498109 | 0.82 | KDM4E (0.56) | CYP2D6KCNH2MAPTMEN1KMT2A | |
| SCHEMBL1880030 | 0.80 | BRD3 (0.61) | CYP2D6MAPTMEN1KMT2AGLA | |
| SCHEMBL4160214 | 0.79 | CYP2D6 (0.50) | DHODHCYP2D6KCNH2MAPTBRD3 | |
| SCHEMBL28496009 | 0.76 | ALOX15 (0.67) | DHODHMAPTMEN1KMT2AGLA | |
| SCHEMBL16433474 | 0.76 | CYP2D6 (0.56) | DHODHCYP2D6KCNH2MAPTMEN1 | |
| SCHEMBL28503828 | 0.76 | BRD3 (0.58) | MAPTMEN1KMT2AGLAALOX15 | |
| SCHEMBL28372988 | 0.76 | SIRT1 (0.63) | MAPTMEN1KMT2AGLAALOX15 | |
| SCHEMBL28501204 | 0.75 | AR (0.48) | MAPTMEN1KMT2AGLAALOX15 | |
| SCHEMBL21957624 | 0.74 | CYP2D6 (0.55) | DHODHCYP2D6KCNH2MAPTMEN1 |
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-107739371-B | Tetrahydrocarbazole micromolecule organic compound, application thereof in preparing antibacterial drugs and preparation method thereof | 华东师范大学 | 2020-08-25 | — | — | CN | disclosed |