Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 2/20 | 0.34 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TRIM24 | O15164 | 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 | |
|---|---|---|---|---|
| SCHEMBL13113614 | 1.00 | CYP2B6 (0.43) | CYP2B6CYP1A2CYP1B1CA1CA9 | |
| SCHEMBL28208426 | 0.84 | MEN1 (0.34) | CYP2B6CYP1A2CYP1B1CA1CA9 | |
| SCHEMBL275271 | 0.77 | CYP2B6 (0.46) | CYP2B6CYP1A2CYP1B1CA1CA9 | |
| SCHEMBL30453312 | 0.75 | CA1 (0.36) | CYP1A2CYP1B1CA1CA9 | |
| SCHEMBL28663419 | 0.75 | CYP2B6 (0.39) | CYP2B6CYP1A2CYP1B1CA1CA9 | |
| SCHEMBL5541390 | 0.73 | CYP2B6 (0.42) | CYP2B6CYP1A2CYP1B1CA1CA9 | |
| SCHEMBL14653042 | 0.73 | CYP2B6 (0.42) | CYP2B6CYP1A2CYP1B1CA1CA9 | |
| SCHEMBL2008458 | 0.73 | CYP2B6 (0.42) | CYP2B6CYP1A2CYP1B1CA1CA9 | |
| SCHEMBL8215841 | 0.73 | CYP1A2 (0.46) | CYP2B6CYP1A2CYP1B1CA1CA9 | |
| SCHEMBL5541990 | 0.73 | CYP2B6 (0.46) | CYP2B6CYP1A2CYP1B1CA1CA9 |
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-112552309-B | Psoralen benzene sulfonate derivative and application thereof | 中国科学院新疆理化技术研究所 | 2023-03-14 | — | — | CN | disclosed |