Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | F9 | P00740 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PI4KA | P42356 | 1/20 | 0.36 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16024693 | 0.91 | ESR1 (0.48) | ESR1ESR2CYP1A2F9CYP11B1 | |
| SCHEMBL16024692 | 0.91 | ESR1 (0.48) | ESR1ESR2CYP1A2F9CYP11B1 | |
| SCHEMBL17356242 | 0.91 | CYP2A6 (0.48) | CYP2A6TDP1ESR1ESR2CYP1A2 | |
| SCHEMBL17356243 | 0.91 | CYP2A6 (0.48) | CYP2A6TDP1ESR1ESR2CYP1A2 | |
| SCHEMBL20342351 | 0.89 | CYP1A2 (0.44) | CYP2A6TDP1ESR1ESR2CYP1A2 | |
| SCHEMBL17356253 | 0.89 | ESR1 (0.50) | ESR1ESR2CYP1A2F9CYP11B1 | |
| SCHEMBL17356250 | 0.89 | ESR1 (0.50) | ESR1ESR2CYP1A2F9CYP11B1 | |
| SCHEMBL15223460 | 0.89 | ESR1 (0.50) | ESR1ESR2CYP1A2F9CYP11B1 | |
| SCHEMBL18352180 | 0.89 | ESR1 (0.50) | ESR1ESR2CYP1A2F9CYP11B1 | |
| SCHEMBL23743698 | 0.87 | CYP2A6 (0.57) | CYP2A6TDP1CYP1A2ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2966077-B1 | CHALCOGEN-CONTAINING ORGANIC COMPOUND AND USE THEREFOR | JNC CORP (JP) | 2020-04-01 | — | — | EP | disclosed |