Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 11/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 8/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MIF | P14174 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | CLK1 | P49759 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5814304 | 0.79 | EGFR (0.52) | CYP19A1CYP17A1CYP11B2CYP1A2CYP2D6 | |
| SCHEMBL29899282 | 0.79 | EGFR (0.52) | CYP19A1CYP17A1CYP11B2CYP1A2CYP2D6 | |
| SCHEMBL28460940 | 0.79 | CYP19A1 (0.41) | CYP19A1CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL5809047 | 0.77 | ACHE (0.46) | CYP19A1CYP11B2CYP1A2CYP2D6KDM4E | |
| SCHEMBL30149529 | 0.77 | ACHE (0.46) | CYP19A1CYP11B2CYP1A2CYP2D6KDM4E | |
| SCHEMBL28456202 | 0.76 | CYP1A2 (0.49) | CYP19A1CYP17A1CYP11B2CYP1A2CYP2D6 | |
| SCHEMBL28461711 | 0.73 | EGFR (0.44) | CYP19A1CYP17A1CYP11B2CYP1A2CYP2D6 | |
| SCHEMBL28454236 | 0.72 | CYP1A2 (0.46) | CYP19A1CYP17A1CYP11B2CYP11B1CYP1A2 | |
| SCHEMBL5419686 | 0.71 | MAPK1 (0.49) | CYP19A1CYP11B2CYP11B1CYP2D6KDM4E | |
| SCHEMBL31140253 | 0.71 | CYP1A1 (0.51) | CYP11B2CYP11B1CYP1A2CYP2D6ALDH1A1 |
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-110283159-B | 2, 4-disubstituted pyrrole or 2,3, 4-trisubstituted pyrrole prepared by one-pot method and preparation method thereof | 河南大学 | 2020-09-29 | — | — | CN | disclosed |