Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19750022 | 1.00 | CYP2A6 (0.56) | CYP2A6CYP1A2TDP1ALDH1A1LMNA | |
| SCHEMBL18405848 | 1.00 | CYP2A6 (0.56) | CYP2A6CYP1A2TDP1ALDH1A1LMNA | |
| SCHEMBL12433639 | 1.00 | CYP2A6 (0.56) | CYP2A6CYP1A2TDP1ALDH1A1LMNA | |
| SCHEMBL12795716 | 0.98 | CYP2A6 (0.54) | CYP2A6CYP1A2TDP1ALDH1A1LMNA | |
| SCHEMBL19750021 | 0.98 | CYP2A6 (0.54) | CYP2A6CYP1A2TDP1ALDH1A1LMNA | |
| SCHEMBL20342377 | 0.94 | CYP2A6 (0.59) | CYP2A6CYP1A2TDP1ALDH1A1LMNA | |
| SCHEMBL20342364 | 0.94 | CYP2A6 (0.59) | CYP2A6CYP1A2TDP1ALDH1A1LMNA | |
| SCHEMBL12433613 | 0.94 | CYP2A6 (0.50) | CYP2A6CYP1A2TDP1ALDH1A1LMNA | |
| SCHEMBL12797451 | 0.94 | CYP2A6 (0.50) | CYP2A6CYP1A2TDP1ALDH1A1LMNA | |
| SCHEMBL20342337 | 0.94 | CYP2A6 (0.50) | 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 |