Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 6/20 | 0.50 |
| ▸ | SSTR4 | P31391 | 3/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | G6PD | P11413 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL28160859 | 0.98 | CYP17A1 (0.51) | CYP17A1SSTR4CHRNB2CHRNA4CYP1A2 | |
| Ethoxycarbonyl Group SCHEMBL28080942 | 0.84 | CYP17A1 (0.45) | CYP17A1SSTR4CHRNB2CHRNA4CYP1A2 | |
| SCHEMBL4397933 | 0.84 | CYP17A1 (0.51) | CYP17A1SSTR4CYP1A2GSK3BMAPT | |
| Ammonia Solution, Strong SCHEMBL28411555 | 0.83 | CHRNB2 (0.42) | CYP17A1SSTR4CHRNB2CHRNA4CYP1A2 | |
| SCHEMBL28080949 | 0.82 | SSTR4 (0.42) | CYP17A1SSTR4CHRNB2CHRNA4CYP1A2 | |
| SCHEMBL16252776 | 0.79 | SSTR4 (0.47) | CYP17A1SSTR4CHRNB2CHRNA4CYP1A2 | |
| Formic Acid SCHEMBL28012981 | 0.79 | SSTR4 (0.47) | CYP17A1SSTR4CHRNB2CHRNA4GSK3B | |
| SCHEMBL17610600 | 0.77 | CYP17A1 (0.40) | CYP17A1SSTR4GSK3BMAPTALDH1A1 | |
| SCHEMBL28151932 | 0.77 | CYP17A1 (0.45) | CYP17A1SSTR4GSK3BMAPTALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28411378 | 0.76 | CYP17A1 (0.50) | CYP17A1SSTR4CHRNB2CHRNA4CYP1A2 |
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-107406417-B | 4H-pyrrolo [3,2-c ] pyridin-4-one derivatives | 拜耳制药股份公司 | 2020-06-09 | — | — | CN | disclosed |