Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 4/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17356235 | 0.97 | CYP2A6 (0.45) | CYP2A6CYP1A2TDP1ALDH1A1LMNA | |
| SCHEMBL17356240 | 0.93 | CYP1A2 (0.40) | CYP2A6CYP1A2TDP1ALDH1A1LMNA | |
| SCHEMBL17356238 | 0.93 | CYP1A2 (0.40) | CYP2A6CYP1A2TDP1ALDH1A1LMNA | |
| SCHEMBL17356242 | 0.93 | CYP2A6 (0.48) | CYP2A6CYP1A2TDP1ALDH1A1LMNA | |
| SCHEMBL17356243 | 0.93 | CYP2A6 (0.48) | CYP2A6CYP1A2TDP1ALDH1A1LMNA | |
| SCHEMBL12797451 | 0.88 | CYP2A6 (0.50) | CYP2A6CYP1A2TDP1ALDH1A1LMNA | |
| SCHEMBL12433613 | 0.88 | CYP2A6 (0.50) | CYP2A6CYP1A2TDP1ALDH1A1LMNA | |
| SCHEMBL12795714 | 0.86 | CYP2A6 (0.48) | CYP2A6CYP1A2TDP1ALDH1A1LMNA | |
| SCHEMBL21848875 | 0.86 | CYP2A6 (0.56) | CYP2A6CYP1A2TDP1ALDH1A1LMNA | |
| SCHEMBL18405848 | 0.86 | CYP2A6 (0.56) | CYP2A6CYP1A2TDP1ALDH1A1LMNA |
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 |