Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 10/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 10/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 7/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28457809 | 0.79 | CYP19A1 (0.44) | CYP19A1CYP11B2CYP11B1CYP17A1 | |
| SCHEMBL4155429 | 0.70 | CYP19A1 (0.48) | CYP19A1CYP11B2ADRA1AADRA1BADRA1D | |
| SCHEMBL23649351 | 0.69 | NPC1 (0.40) | CYP19A1CYP11B2CYP11B1NPC1CYP17A1 | |
| SCHEMBL12853973 | 0.69 | ALOX5AP (0.50) | CYP19A1CYP11B2ADRA1AADRA1BADRA1D | |
| SCHEMBL12853984 | 0.69 | ALOX5AP (0.50) | CYP19A1CYP11B2ADRA1AADRA1BADRA1D | |
| SCHEMBL7705613 | 0.68 | NOS3 (0.45) | CYP19A1CYP11B2ADRA1AADRA1BADRA1D | |
| SCHEMBL28462071 | 0.68 | PARP1 (0.40) | CYP11B2CYP11B1NPC1 | |
| SCHEMBL23064176 | 0.67 | HSD17B10 (0.56) | NPC1DYRK1AMETAP2 | |
| SCHEMBL28462072 | 0.67 | NPC1 (0.36) | CYP19A1CYP11B2CYP11B1NPC1DYRK1A | |
| SCHEMBL4073407 | 0.67 | ADRA1A (0.43) | ADRA1AADRA1BROCK2ROCK1CDC42BPB |
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 |